REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2e9y_1_B DATA FIRST_RESID 5 DATA SEQUENCE RLAVIALGGN AIAGPGMDVS VESQTAAVKR ASSIIADVLA DGWRSVITHG DATA SEQUENCE NGPQVGYLSE AFEALPPERP RQPLYIATAM TQAWIGLLLK HSLEEELRRR DATA SEQUENCE GLNVLVPVVI SRVLVDVSDP SFNNPSKPVG PIYGREEAEE LSRRYGWVFK DATA SEQUENCE RDPRGGFRRV VPSPRPVSIV DRDLIAEASA ESPAVVALGG GGVPVVERPG DATA SEQUENCE GVLEPVEAVV DKDLASSLLA TQLNADLLVI LTDVPGVAVN YGREGERWLR DATA SEQUENCE RAAASELKKY LREGHFPPGS MGPKVEAAIS FVERTGKPAV IGSLEEARQV DATA SEQUENCE LSLQAGTVVM LG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.376 176.300 0.126 0.000 0.893 5 R CA 0.000 55.993 56.100 -0.178 0.000 0.921 5 R CB 0.000 29.818 30.300 -0.803 0.000 0.687 6 L N 1.715 123.100 121.223 0.269 0.000 2.313 6 L HA 0.864 5.204 4.340 -0.001 0.000 0.283 6 L C -0.818 176.250 176.870 0.330 0.000 1.013 6 L CA -0.242 54.770 54.840 0.288 0.000 0.816 6 L CB 1.793 43.945 42.059 0.155 0.000 1.236 6 L HN 0.813 nan 8.230 nan 0.000 0.419 7 A N 4.744 127.693 122.820 0.215 0.000 2.355 7 A HA 0.770 5.089 4.320 -0.001 0.000 0.317 7 A C -1.276 176.240 177.584 -0.113 0.000 1.094 7 A CA -0.592 51.399 52.037 -0.078 0.000 0.764 7 A CB 1.622 20.325 19.000 -0.496 0.000 1.230 7 A HN 0.481 nan 8.150 nan 0.000 0.448 8 V N 3.751 123.559 119.914 -0.176 0.000 2.350 8 V HA 0.327 4.446 4.120 -0.001 0.000 0.276 8 V C -0.339 175.629 176.094 -0.210 0.000 1.028 8 V CA 0.017 62.221 62.300 -0.161 0.000 0.860 8 V CB 0.810 32.530 31.823 -0.171 0.000 0.990 8 V HN 0.683 nan 8.190 nan 0.000 0.453 9 I N 4.733 125.202 120.570 -0.168 0.000 2.354 9 I HA 0.555 4.724 4.170 -0.001 0.000 0.286 9 I C 0.459 176.498 176.117 -0.130 0.000 1.007 9 I CA -0.478 60.717 61.300 -0.175 0.000 1.167 9 I CB 1.642 39.539 38.000 -0.172 0.000 1.320 9 I HN 0.618 nan 8.210 nan 0.000 0.458 10 A N 8.294 131.032 122.820 -0.136 0.000 2.316 10 A HA 0.616 4.936 4.320 -0.001 0.000 0.311 10 A C -0.183 177.348 177.584 -0.089 0.000 1.339 10 A CA -0.381 51.593 52.037 -0.106 0.000 0.960 10 A CB 0.106 19.037 19.000 -0.114 0.000 1.152 10 A HN 0.701 nan 8.150 nan 0.000 0.547 11 L N 2.654 123.844 121.223 -0.055 0.000 2.418 11 L HA 0.519 4.858 4.340 -0.001 0.000 0.265 11 L C 1.224 178.069 176.870 -0.042 0.000 1.143 11 L CA -0.307 54.504 54.840 -0.048 0.000 0.809 11 L CB 1.128 43.172 42.059 -0.024 0.000 1.124 11 L HN 0.770 nan 8.230 nan 0.000 0.456 12 G N 0.059 108.824 108.800 -0.058 0.000 2.642 12 G HA2 0.405 4.365 3.960 -0.001 0.000 0.291 12 G HA3 0.405 4.365 3.960 -0.001 0.000 0.291 12 G C 0.848 175.712 174.900 -0.060 0.000 1.345 12 G CA -0.003 45.062 45.100 -0.057 0.000 1.043 12 G HN 0.754 nan 8.290 nan 0.000 0.528 13 G N 0.304 109.067 108.800 -0.062 0.000 2.432 13 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.219 13 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.219 13 G C 1.503 176.354 174.900 -0.081 0.000 1.135 13 G CA 1.284 46.339 45.100 -0.074 0.000 0.767 13 G HN 0.681 nan 8.290 nan 0.000 0.550 14 N N 1.537 120.195 118.700 -0.071 0.000 2.520 14 N HA 0.060 4.800 4.740 -0.001 0.000 0.185 14 N C 1.950 177.415 175.510 -0.076 0.000 1.068 14 N CA 1.171 54.180 53.050 -0.069 0.000 0.911 14 N CB -0.264 38.185 38.487 -0.064 0.000 0.961 14 N HN 0.285 nan 8.380 nan 0.000 0.446 15 A N 0.206 122.976 122.820 -0.083 0.000 2.132 15 A HA 0.214 4.533 4.320 -0.001 0.000 0.213 15 A C 1.916 179.435 177.584 -0.109 0.000 1.154 15 A CA 0.245 52.229 52.037 -0.087 0.000 0.753 15 A CB 0.102 19.052 19.000 -0.082 0.000 0.826 15 A HN 0.234 nan 8.150 nan 0.000 0.469 16 I N -1.765 118.726 120.570 -0.132 0.000 3.718 16 I HA 0.312 4.482 4.170 -0.001 0.000 0.297 16 I C 1.203 177.218 176.117 -0.170 0.000 1.220 16 I CA 0.886 62.077 61.300 -0.181 0.000 1.381 16 I CB -1.105 36.741 38.000 -0.257 0.000 1.238 16 I HN 0.224 nan 8.210 nan 0.000 0.448 17 A N 0.235 122.969 122.820 -0.144 0.000 2.414 17 A HA 0.823 5.143 4.320 -0.001 0.000 0.278 17 A C 0.051 177.586 177.584 -0.083 0.000 1.228 17 A CA -0.066 51.898 52.037 -0.122 0.000 0.857 17 A CB 0.728 19.644 19.000 -0.139 0.000 1.389 17 A HN 0.206 nan 8.150 nan 0.000 0.452 18 G N -0.776 107.984 108.800 -0.065 0.000 2.461 18 G HA2 0.589 4.549 3.960 -0.001 0.000 0.329 18 G HA3 0.589 4.549 3.960 -0.001 0.000 0.329 18 G C -2.915 171.960 174.900 -0.041 0.000 1.170 18 G CA -1.629 43.442 45.100 -0.048 0.000 0.935 18 G HN 0.455 nan 8.290 nan 0.000 0.492 19 P HA 0.178 nan 4.420 nan 0.000 0.264 19 P C 0.885 178.172 177.300 -0.021 0.000 1.179 19 P CA 1.704 64.789 63.100 -0.026 0.000 0.763 19 P CB 0.749 32.437 31.700 -0.020 0.000 0.806 20 G N 2.764 111.553 108.800 -0.018 0.000 2.160 20 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.244 20 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.244 20 G C 0.424 175.316 174.900 -0.013 0.000 1.022 20 G CA 0.113 45.205 45.100 -0.012 0.000 0.741 20 G HN 0.600 nan 8.290 nan 0.000 0.508 21 M N -0.826 118.761 119.600 -0.023 0.000 2.297 21 M HA -0.155 4.324 4.480 -0.001 0.000 0.200 21 M C 0.077 176.362 176.300 -0.025 0.000 0.414 21 M CA 1.262 56.546 55.300 -0.027 0.000 0.449 21 M CB -1.029 31.566 32.600 -0.010 0.000 1.436 21 M HN 0.380 nan 8.290 nan 0.000 0.912 22 D N 1.768 122.149 120.400 -0.033 0.000 2.383 22 D HA 0.315 4.955 4.640 -0.001 0.000 0.245 22 D C 0.915 177.185 176.300 -0.051 0.000 1.263 22 D CA -0.005 53.977 54.000 -0.030 0.000 0.936 22 D CB 0.735 41.519 40.800 -0.026 0.000 1.053 22 D HN 0.366 nan 8.370 nan 0.000 0.507 23 V N 1.770 121.647 119.914 -0.061 0.000 3.421 23 V HA 0.159 4.279 4.120 -0.001 0.000 0.316 23 V C 0.820 176.885 176.094 -0.047 0.000 1.347 23 V CA -0.246 62.007 62.300 -0.079 0.000 1.183 23 V CB -1.164 30.584 31.823 -0.125 0.000 1.092 23 V HN 0.427 nan 8.190 nan 0.000 0.433 24 S N -0.476 115.197 115.700 -0.045 0.000 2.568 24 S HA 0.222 4.692 4.470 -0.001 0.000 0.282 24 S C 1.130 175.731 174.600 0.002 0.000 1.338 24 S CA 0.403 58.584 58.200 -0.032 0.000 1.045 24 S CB 1.677 64.866 63.200 -0.019 0.000 0.873 24 S HN 0.507 nan 8.310 nan 0.000 0.516 25 V N 1.939 121.855 119.914 0.004 0.000 2.392 25 V HA -0.157 3.963 4.120 -0.001 0.000 0.249 25 V C 2.236 178.337 176.094 0.012 0.000 1.059 25 V CA 2.509 64.825 62.300 0.026 0.000 1.051 25 V CB -1.066 30.755 31.823 -0.002 0.000 0.658 25 V HN 0.961 nan 8.190 nan 0.000 0.455 26 E N 0.353 120.553 120.200 -0.001 0.000 2.051 26 E HA -0.150 4.200 4.350 -0.001 0.000 0.192 26 E C 2.459 179.055 176.600 -0.007 0.000 0.991 26 E CA 1.875 58.273 56.400 -0.004 0.000 0.799 26 E CB -0.543 29.154 29.700 -0.006 0.000 0.748 26 E HN 0.602 nan 8.360 nan 0.000 0.449 27 S N 0.464 116.157 115.700 -0.011 0.000 2.383 27 S HA -0.138 4.331 4.470 -0.001 0.000 0.227 27 S C 1.841 176.424 174.600 -0.029 0.000 1.026 27 S CA 0.911 59.099 58.200 -0.020 0.000 0.981 27 S CB -0.150 63.035 63.200 -0.024 0.000 0.818 27 S HN 0.277 nan 8.310 nan 0.000 0.472 28 Q N 0.336 120.121 119.800 -0.024 0.000 2.123 28 Q HA -0.044 4.295 4.340 -0.001 0.000 0.199 28 Q C 2.189 178.171 176.000 -0.031 0.000 0.966 28 Q CA 1.338 57.115 55.803 -0.043 0.000 0.845 28 Q CB -0.505 28.213 28.738 -0.032 0.000 0.907 28 Q HN 0.458 nan 8.270 nan 0.000 0.439 29 T N 1.278 115.829 114.554 -0.006 0.000 2.788 29 T HA -0.133 4.216 4.350 -0.001 0.000 0.268 29 T C 1.938 176.633 174.700 -0.008 0.000 1.044 29 T CA 1.262 63.363 62.100 0.001 0.000 1.139 29 T CB -0.192 68.683 68.868 0.011 0.000 0.867 29 T HN 0.375 nan 8.240 nan 0.000 0.454 30 A N 1.422 124.234 122.820 -0.013 0.000 1.873 30 A HA 0.215 4.535 4.320 -0.001 0.000 0.215 30 A C 2.653 180.221 177.584 -0.027 0.000 1.186 30 A CA 1.731 53.758 52.037 -0.017 0.000 0.616 30 A CB -1.118 17.872 19.000 -0.017 0.000 0.823 30 A HN 0.493 nan 8.150 nan 0.000 0.442 31 A N -0.537 122.260 122.820 -0.038 0.000 1.877 31 A HA -0.023 4.297 4.320 -0.001 0.000 0.216 31 A C 2.217 179.767 177.584 -0.055 0.000 1.186 31 A CA 1.847 53.853 52.037 -0.051 0.000 0.620 31 A CB -0.978 17.982 19.000 -0.066 0.000 0.822 31 A HN 0.406 nan 8.150 nan 0.000 0.443 32 V N 0.227 120.107 119.914 -0.057 0.000 2.407 32 V HA -0.256 3.864 4.120 -0.001 0.000 0.248 32 V C 2.518 178.590 176.094 -0.037 0.000 1.055 32 V CA 2.332 64.598 62.300 -0.057 0.000 1.049 32 V CB -0.644 31.145 31.823 -0.057 0.000 0.662 32 V HN 0.691 nan 8.190 nan 0.000 0.455 33 K N 0.077 120.463 120.400 -0.024 0.000 2.057 33 K HA -0.183 4.136 4.320 -0.001 0.000 0.207 33 K C 2.399 178.985 176.600 -0.024 0.000 1.049 33 K CA 1.408 57.686 56.287 -0.016 0.000 0.931 33 K CB -0.094 32.402 32.500 -0.007 0.000 0.714 33 K HN 0.373 nan 8.250 nan 0.000 0.440 34 R N -0.124 120.358 120.500 -0.030 0.000 2.073 34 R HA -0.093 4.246 4.340 -0.001 0.000 0.234 34 R C 2.420 178.696 176.300 -0.040 0.000 1.134 34 R CA 1.283 57.363 56.100 -0.034 0.000 0.952 34 R CB -0.357 29.921 30.300 -0.037 0.000 0.850 34 R HN 0.232 nan 8.270 nan 0.000 0.433 35 A N 0.669 123.461 122.820 -0.047 0.000 1.898 35 A HA -0.121 4.199 4.320 -0.001 0.000 0.216 35 A C 2.242 179.798 177.584 -0.047 0.000 1.181 35 A CA 1.598 53.603 52.037 -0.054 0.000 0.620 35 A CB -0.396 18.565 19.000 -0.064 0.000 0.819 35 A HN 0.212 nan 8.150 nan 0.000 0.442 36 S N -0.410 115.266 115.700 -0.039 0.000 2.382 36 S HA -0.139 4.331 4.470 -0.001 0.000 0.228 36 S C 2.299 176.882 174.600 -0.028 0.000 1.027 36 S CA 1.389 59.570 58.200 -0.032 0.000 0.991 36 S CB -0.333 62.852 63.200 -0.025 0.000 0.823 36 S HN 0.689 nan 8.310 nan 0.000 0.469 37 S N 1.214 116.898 115.700 -0.027 0.000 2.368 37 S HA -0.034 4.436 4.470 -0.001 0.000 0.225 37 S C 1.762 176.348 174.600 -0.025 0.000 1.030 37 S CA 0.981 59.167 58.200 -0.023 0.000 0.999 37 S CB -0.397 62.789 63.200 -0.022 0.000 0.844 37 S HN 0.475 nan 8.310 nan 0.000 0.459 38 I N 0.983 121.533 120.570 -0.033 0.000 2.252 38 I HA -0.131 4.038 4.170 -0.001 0.000 0.245 38 I C 2.140 178.235 176.117 -0.037 0.000 1.102 38 I CA 1.131 62.409 61.300 -0.037 0.000 1.385 38 I CB -0.334 37.636 38.000 -0.050 0.000 1.064 38 I HN 0.321 nan 8.210 nan 0.000 0.414 39 I N 0.880 121.425 120.570 -0.040 0.000 2.226 39 I HA -0.286 3.883 4.170 -0.001 0.000 0.245 39 I C 2.798 178.905 176.117 -0.017 0.000 1.100 39 I CA 1.292 62.569 61.300 -0.039 0.000 1.374 39 I CB -0.495 37.482 38.000 -0.039 0.000 1.057 39 I HN 0.182 nan 8.210 nan 0.000 0.413 40 A N 0.511 123.323 122.820 -0.013 0.000 1.940 40 A HA -0.243 4.077 4.320 -0.001 0.000 0.219 40 A C 1.931 179.520 177.584 0.009 0.000 1.176 40 A CA 2.029 54.065 52.037 -0.002 0.000 0.631 40 A CB -0.540 18.455 19.000 -0.008 0.000 0.814 40 A HN 0.363 nan 8.150 nan 0.000 0.446 41 D N -0.291 120.111 120.400 0.003 0.000 2.144 41 D HA -0.091 4.549 4.640 -0.001 0.000 0.200 41 D C 2.069 178.391 176.300 0.037 0.000 0.978 41 D CA 1.372 55.380 54.000 0.013 0.000 0.833 41 D CB -0.384 40.417 40.800 0.001 0.000 0.961 41 D HN 0.240 nan 8.370 nan 0.000 0.470 42 V N 1.221 121.152 119.914 0.028 0.000 2.343 42 V HA -0.202 3.917 4.120 -0.001 0.000 0.247 42 V C 2.627 178.809 176.094 0.147 0.000 1.051 42 V CA 1.117 63.454 62.300 0.061 0.000 1.036 42 V CB -0.403 31.398 31.823 -0.037 0.000 0.654 42 V HN 0.189 nan 8.190 nan 0.000 0.451 43 L N 0.108 121.388 121.223 0.096 0.000 2.056 43 L HA -0.088 4.252 4.340 -0.001 0.000 0.207 43 L C 2.737 179.661 176.870 0.090 0.000 1.078 43 L CA 1.442 56.349 54.840 0.112 0.000 0.749 43 L CB -0.885 41.212 42.059 0.063 0.000 0.901 43 L HN 0.345 nan 8.230 nan 0.000 0.433 44 A N -0.310 122.546 122.820 0.060 0.000 2.076 44 A HA -0.230 4.090 4.320 -0.001 0.000 0.220 44 A C 1.579 179.192 177.584 0.048 0.000 1.160 44 A CA 1.879 53.941 52.037 0.041 0.000 0.653 44 A CB -0.492 18.524 19.000 0.027 0.000 0.801 44 A HN 0.347 nan 8.150 nan 0.000 0.455 45 D N -1.577 118.876 120.400 0.088 0.000 2.336 45 D HA 0.306 4.945 4.640 -0.001 0.000 0.229 45 D C 1.384 177.710 176.300 0.043 0.000 1.061 45 D CA 1.160 55.215 54.000 0.091 0.000 0.875 45 D CB 0.108 41.010 40.800 0.171 0.000 0.904 45 D HN 0.581 nan 8.370 nan 0.000 0.525 46 G N -0.369 108.449 108.800 0.029 0.000 2.218 46 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.216 46 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.216 46 G C -0.022 174.824 174.900 -0.090 0.000 0.994 46 G CA -0.519 44.538 45.100 -0.072 0.000 0.637 46 G HN 0.201 nan 8.290 nan 0.000 0.505 47 W N 1.703 122.996 121.300 -0.012 0.000 2.202 47 W HA 0.722 5.381 4.660 -0.001 0.000 0.332 47 W C 1.131 177.643 176.519 -0.012 0.000 1.263 47 W CA -0.490 56.848 57.345 -0.013 0.000 1.223 47 W CB 0.546 29.995 29.460 -0.018 0.000 1.128 47 W HN 0.010 nan 8.180 nan 0.000 0.573 48 R N 1.697 122.375 120.500 0.296 0.000 2.540 48 R HA 0.597 4.937 4.340 -0.001 0.000 0.287 48 R C -0.452 175.954 176.300 0.177 0.000 0.980 48 R CA -0.661 55.545 56.100 0.177 0.000 0.966 48 R CB 1.716 32.085 30.300 0.115 0.000 1.106 48 R HN 0.512 nan 8.270 nan 0.000 0.480 49 S N -0.202 115.555 115.700 0.095 0.000 2.536 49 S HA 0.376 4.846 4.470 -0.001 0.000 0.271 49 S C -0.916 173.697 174.600 0.022 0.000 1.134 49 S CA -0.893 57.336 58.200 0.049 0.000 0.897 49 S CB 1.850 65.060 63.200 0.017 0.000 1.094 49 S HN 0.204 nan 8.310 nan 0.000 0.473 50 V N 3.668 123.582 119.914 0.001 0.000 2.347 50 V HA 0.457 4.576 4.120 -0.001 0.000 0.280 50 V C -0.361 175.714 176.094 -0.031 0.000 1.021 50 V CA -0.552 61.743 62.300 -0.009 0.000 0.847 50 V CB 0.776 32.594 31.823 -0.009 0.000 0.990 50 V HN 0.865 nan 8.190 nan 0.000 0.444 51 I N 5.328 125.889 120.570 -0.016 0.000 2.321 51 I HA 0.475 4.645 4.170 -0.001 0.000 0.291 51 I C 0.704 176.822 176.117 0.001 0.000 0.998 51 I CA -0.041 61.249 61.300 -0.017 0.000 1.227 51 I CB 1.753 39.754 38.000 0.001 0.000 1.368 51 I HN 0.723 nan 8.210 nan 0.000 0.466 52 T N 1.922 116.457 114.554 -0.030 0.000 2.938 52 T HA 0.811 5.161 4.350 -0.001 0.000 0.285 52 T C -0.654 174.034 174.700 -0.020 0.000 1.028 52 T CA -0.634 61.419 62.100 -0.079 0.000 1.005 52 T CB 1.892 70.686 68.868 -0.123 0.000 1.157 52 T HN 0.809 nan 8.240 nan 0.000 0.550 53 H N -2.377 116.650 119.070 -0.071 0.000 3.003 53 H HA 0.692 5.247 4.556 -0.001 0.000 0.327 53 H C -0.086 175.191 175.328 -0.084 0.000 1.353 53 H CA -0.946 55.051 56.048 -0.085 0.000 1.142 53 H CB 0.722 30.428 29.762 -0.094 0.000 1.864 53 H HN 0.959 nan 8.280 nan 0.000 0.529 54 G N -0.639 108.197 108.800 0.060 0.000 2.543 54 G HA2 0.384 4.343 3.960 -0.001 0.000 0.290 54 G HA3 0.384 4.343 3.960 -0.001 0.000 0.290 54 G C -0.158 174.785 174.900 0.073 0.000 1.310 54 G CA -0.347 44.754 45.100 0.001 0.000 1.025 54 G HN 1.110 nan 8.290 nan 0.000 0.502 55 N N -1.975 116.719 118.700 -0.010 0.000 2.162 55 N HA 0.058 4.797 4.740 -0.001 0.000 0.232 55 N C 1.410 176.880 175.510 -0.067 0.000 1.361 55 N CA 0.692 53.715 53.050 -0.045 0.000 0.786 55 N CB -0.278 38.205 38.487 -0.007 0.000 1.290 55 N HN 0.621 nan 8.380 nan 0.000 0.505 56 G N 2.352 111.118 108.800 -0.057 0.000 2.586 56 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.218 56 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.218 56 G C -0.748 174.127 174.900 -0.042 0.000 1.216 56 G CA 1.388 46.460 45.100 -0.046 0.000 0.786 56 G HN 0.368 nan 8.290 nan 0.000 0.583 57 P HA -0.043 nan 4.420 nan 0.000 0.217 57 P C 1.827 179.111 177.300 -0.027 0.000 1.150 57 P CA 1.345 64.418 63.100 -0.046 0.000 0.832 57 P CB 0.000 31.650 31.700 -0.083 0.000 0.787 58 Q N -0.840 118.869 119.800 -0.152 0.000 2.046 58 Q HA -0.077 4.262 4.340 -0.001 0.000 0.200 58 Q C 2.223 178.304 176.000 0.135 0.000 0.975 58 Q CA 1.049 56.729 55.803 -0.205 0.000 0.836 58 Q CB -1.543 26.744 28.738 -0.751 0.000 0.896 58 Q HN 0.066 nan 8.270 nan 0.000 0.428 59 V N 0.243 120.191 119.914 0.057 0.000 2.626 59 V HA -0.103 4.016 4.120 -0.001 0.000 0.252 59 V C 1.809 177.944 176.094 0.067 0.000 1.067 59 V CA 1.980 64.333 62.300 0.089 0.000 1.081 59 V CB -0.662 31.188 31.823 0.045 0.000 0.686 59 V HN 0.511 nan 8.190 nan 0.000 0.468 60 G N -1.475 107.361 108.800 0.060 0.000 2.402 60 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.216 60 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.216 60 G C 1.499 176.441 174.900 0.069 0.000 1.162 60 G CA 1.079 46.206 45.100 0.045 0.000 0.777 60 G HN 0.618 nan 8.290 nan 0.000 0.539 61 Y N 1.176 121.483 120.300 0.012 0.000 2.181 61 Y HA -0.057 4.492 4.550 -0.000 0.000 0.288 61 Y C 2.520 178.364 175.900 -0.093 0.000 1.146 61 Y CA 1.367 59.478 58.100 0.018 0.000 1.164 61 Y CB -0.193 38.359 38.460 0.153 0.000 0.982 61 Y HN 0.108 nan 8.280 nan 0.000 0.515 62 L N -0.894 120.299 121.223 -0.050 0.000 2.046 62 L HA -0.244 4.096 4.340 -0.001 0.000 0.208 62 L C 2.516 178.861 176.870 -0.875 0.000 1.077 62 L CA 1.593 56.109 54.840 -0.541 0.000 0.747 62 L CB -0.761 41.115 42.059 -0.305 0.000 0.896 62 L HN 0.165 nan 8.230 nan 0.000 0.432 63 S N -0.554 114.942 115.700 -0.340 0.000 2.368 63 S HA -0.248 4.221 4.470 -0.001 0.000 0.225 63 S C 1.848 176.433 174.600 -0.024 0.000 1.030 63 S CA 1.503 59.652 58.200 -0.085 0.000 0.999 63 S CB -0.253 62.974 63.200 0.046 0.000 0.844 63 S HN 0.436 nan 8.310 nan 0.000 0.459 64 E N 1.321 121.465 120.200 -0.093 0.000 2.085 64 E HA -0.184 4.166 4.350 -0.001 0.000 0.194 64 E C 2.133 178.659 176.600 -0.122 0.000 0.994 64 E CA 1.110 57.476 56.400 -0.057 0.000 0.801 64 E CB -0.249 29.372 29.700 -0.133 0.000 0.743 64 E HN 0.490 nan 8.360 nan 0.000 0.453 65 A N 0.479 123.084 122.820 -0.359 0.000 1.873 65 A HA -0.133 4.186 4.320 -0.001 0.000 0.215 65 A C 1.873 179.433 177.584 -0.040 0.000 1.186 65 A CA 1.224 53.075 52.037 -0.311 0.000 0.616 65 A CB -0.798 17.878 19.000 -0.539 0.000 0.823 65 A HN 0.322 nan 8.150 nan 0.000 0.442 66 F N 0.708 120.649 119.950 -0.016 0.000 2.161 66 F HA -0.110 4.417 4.527 -0.001 0.000 0.300 66 F C 2.292 178.133 175.800 0.069 0.000 1.089 66 F CA 1.241 59.255 58.000 0.025 0.000 1.282 66 F CB -0.788 38.235 39.000 0.040 0.000 1.010 66 F HN 0.222 nan 8.300 nan 0.000 0.485 67 E N -0.140 120.239 120.200 0.298 0.000 2.427 67 E HA 0.043 4.392 4.350 -0.001 0.000 0.196 67 E C 2.226 178.940 176.600 0.189 0.000 1.028 67 E CA 0.730 57.293 56.400 0.272 0.000 0.864 67 E CB -0.462 29.463 29.700 0.375 0.000 0.813 67 E HN 0.313 nan 8.360 nan 0.000 0.514 68 A N 0.549 123.451 122.820 0.137 0.000 2.119 68 A HA 0.051 4.370 4.320 -0.001 0.000 0.216 68 A C 1.331 178.961 177.584 0.076 0.000 1.152 68 A CA 0.152 52.242 52.037 0.089 0.000 0.708 68 A CB -0.137 18.885 19.000 0.037 0.000 0.805 68 A HN 0.112 nan 8.150 nan 0.000 0.460 69 L N 0.017 121.294 121.223 0.091 0.000 2.466 69 L HA 0.247 4.587 4.340 -0.001 0.000 0.257 69 L C -2.144 174.761 176.870 0.060 0.000 1.189 69 L CA -2.125 52.757 54.840 0.069 0.000 0.813 69 L CB 0.167 42.272 42.059 0.076 0.000 1.118 69 L HN 0.009 nan 8.230 nan 0.000 0.471 70 P HA -0.025 nan 4.420 nan 0.000 0.265 70 P C -1.898 175.421 177.300 0.033 0.000 1.187 70 P CA -0.814 62.303 63.100 0.028 0.000 0.766 70 P CB 0.035 31.746 31.700 0.017 0.000 0.820 71 P HA -0.262 nan 4.420 nan 0.000 0.217 71 P C 1.057 178.374 177.300 0.028 0.000 1.148 71 P CA 1.706 64.819 63.100 0.023 0.000 0.834 71 P CB -0.047 31.642 31.700 -0.019 0.000 0.783 72 E N -0.680 119.529 120.200 0.015 0.000 2.358 72 E HA -0.075 4.275 4.350 -0.001 0.000 0.195 72 E C 0.682 177.290 176.600 0.013 0.000 1.010 72 E CA 0.327 56.734 56.400 0.012 0.000 0.856 72 E CB -0.362 29.339 29.700 0.002 0.000 0.795 72 E HN 0.126 nan 8.360 nan 0.000 0.504 73 R N 2.312 122.823 120.500 0.017 0.000 2.590 73 R HA 0.240 4.580 4.340 -0.001 0.000 0.274 73 R C -2.152 174.147 176.300 -0.001 0.000 1.061 73 R CA -2.163 53.942 56.100 0.008 0.000 1.081 73 R CB -0.738 29.571 30.300 0.015 0.000 0.984 73 R HN 0.083 nan 8.270 nan 0.000 0.448 74 P HA 0.031 nan 4.420 nan 0.000 0.264 74 P C -0.397 176.842 177.300 -0.102 0.000 1.183 74 P CA 0.257 63.322 63.100 -0.058 0.000 0.763 74 P CB 0.479 32.133 31.700 -0.077 0.000 0.807 75 R N 2.465 122.901 120.500 -0.108 0.000 2.387 75 R HA 0.316 4.655 4.340 -0.001 0.000 0.314 75 R C -0.034 176.115 176.300 -0.252 0.000 0.958 75 R CA -0.558 55.446 56.100 -0.159 0.000 0.846 75 R CB 0.722 30.976 30.300 -0.076 0.000 1.147 75 R HN 0.378 nan 8.270 nan 0.000 0.447 76 Q N 3.908 123.407 119.800 -0.501 0.000 2.293 76 Q HA 0.291 4.631 4.340 -0.001 0.000 0.251 76 Q C -1.915 173.967 176.000 -0.196 0.000 0.930 76 Q CA -1.779 53.766 55.803 -0.430 0.000 0.893 76 Q CB 0.598 28.924 28.738 -0.687 0.000 1.215 76 Q HN 0.467 nan 8.270 nan 0.000 0.425 77 P HA 0.012 nan 4.420 nan 0.000 0.272 77 P C 0.674 177.968 177.300 -0.010 0.000 1.240 77 P CA -0.434 62.644 63.100 -0.036 0.000 0.791 77 P CB 0.899 32.613 31.700 0.023 0.000 0.978 78 L N 1.908 123.177 121.223 0.077 0.000 2.127 78 L HA -0.198 4.142 4.340 -0.001 0.000 0.211 78 L C 2.643 179.583 176.870 0.117 0.000 1.089 78 L CA 1.814 56.706 54.840 0.088 0.000 0.757 78 L CB -1.816 40.275 42.059 0.053 0.000 0.899 78 L HN 0.498 nan 8.230 nan 0.000 0.434 79 Y N -2.055 118.278 120.300 0.054 0.000 2.274 79 Y HA -0.148 4.401 4.550 -0.001 0.000 0.290 79 Y C 2.113 178.052 175.900 0.065 0.000 1.145 79 Y CA 1.214 59.345 58.100 0.052 0.000 1.203 79 Y CB -0.695 37.790 38.460 0.043 0.000 0.984 79 Y HN 0.078 nan 8.280 nan 0.000 0.533 80 I N 1.201 121.472 120.570 -0.499 0.000 2.353 80 I HA -0.129 4.041 4.170 -0.001 0.000 0.248 80 I C 2.699 178.795 176.117 -0.034 0.000 1.119 80 I CA 1.165 62.235 61.300 -0.384 0.000 1.417 80 I CB -1.657 36.030 38.000 -0.523 0.000 1.078 80 I HN 0.463 nan 8.210 nan 0.000 0.421 81 A N 0.463 123.325 122.820 0.070 0.000 1.902 81 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 81 A C 2.415 180.095 177.584 0.159 0.000 1.181 81 A CA 2.352 54.515 52.037 0.210 0.000 0.623 81 A CB -1.042 18.111 19.000 0.256 0.000 0.818 81 A HN 0.377 nan 8.150 nan 0.000 0.443 82 T N 0.315 114.942 114.554 0.122 0.000 2.708 82 T HA -0.055 4.295 4.350 -0.001 0.000 0.266 82 T C 2.230 177.003 174.700 0.121 0.000 1.037 82 T CA 1.683 63.850 62.100 0.112 0.000 1.146 82 T CB -0.482 68.447 68.868 0.101 0.000 0.865 82 T HN 0.610 nan 8.240 nan 0.000 0.435 83 A N 1.415 124.308 122.820 0.121 0.000 1.908 83 A HA -0.100 4.219 4.320 -0.001 0.000 0.218 83 A C 2.347 180.012 177.584 0.135 0.000 1.181 83 A CA 1.691 53.799 52.037 0.119 0.000 0.627 83 A CB -0.733 18.332 19.000 0.110 0.000 0.818 83 A HN 0.474 nan 8.150 nan 0.000 0.445 84 M N -0.063 119.627 119.600 0.150 0.000 2.108 84 M HA -0.160 4.319 4.480 -0.001 0.000 0.261 84 M C 2.378 178.843 176.300 0.276 0.000 1.066 84 M CA 2.089 57.505 55.300 0.193 0.000 1.107 84 M CB -0.800 31.929 32.600 0.215 0.000 1.356 84 M HN 0.721 nan 8.290 nan 0.000 0.406 85 T N -1.861 112.857 114.554 0.274 0.000 2.915 85 T HA -0.143 4.207 4.350 -0.001 0.000 0.269 85 T C 1.612 176.440 174.700 0.213 0.000 1.071 85 T CA 1.080 63.343 62.100 0.272 0.000 1.132 85 T CB -0.347 68.603 68.868 0.136 0.000 0.878 85 T HN 0.490 nan 8.240 nan 0.000 0.479 86 Q N 0.860 120.776 119.800 0.193 0.000 2.119 86 Q HA 0.105 4.445 4.340 -0.001 0.000 0.201 86 Q C 2.761 178.871 176.000 0.183 0.000 0.972 86 Q CA 1.438 57.356 55.803 0.191 0.000 0.847 86 Q CB -0.355 28.459 28.738 0.126 0.000 0.903 86 Q HN 0.749 nan 8.270 nan 0.000 0.433 87 A N 0.285 123.213 122.820 0.179 0.000 1.930 87 A HA -0.143 4.177 4.320 -0.001 0.000 0.215 87 A C 1.658 179.370 177.584 0.214 0.000 1.176 87 A CA 0.686 52.820 52.037 0.162 0.000 0.632 87 A CB -0.695 18.385 19.000 0.133 0.000 0.819 87 A HN 0.572 nan 8.150 nan 0.000 0.445 88 W N 1.148 122.462 121.300 0.023 0.000 2.352 88 W HA -0.149 4.511 4.660 -0.001 0.000 0.322 88 W C 1.775 178.265 176.519 -0.048 0.000 1.208 88 W CA 1.777 59.117 57.345 -0.009 0.000 1.286 88 W CB -1.009 28.450 29.460 -0.003 0.000 1.167 88 W HN 0.287 nan 8.180 nan 0.000 0.469 89 I N 0.845 121.379 120.570 -0.060 0.000 2.315 89 I HA -0.147 4.022 4.170 -0.001 0.000 0.248 89 I C 2.643 178.636 176.117 -0.206 0.000 1.117 89 I CA 1.513 62.607 61.300 -0.343 0.000 1.404 89 I CB -1.301 36.306 38.000 -0.654 0.000 1.071 89 I HN 0.128 nan 8.210 nan 0.000 0.419 90 G N 1.285 110.060 108.800 -0.042 0.000 2.418 90 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.217 90 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.217 90 G C 1.661 176.587 174.900 0.042 0.000 1.158 90 G CA 0.684 45.803 45.100 0.033 0.000 0.771 90 G HN 0.267 nan 8.290 nan 0.000 0.545 91 L N 0.525 121.792 121.223 0.074 0.000 2.046 91 L HA 0.057 4.396 4.340 -0.001 0.000 0.208 91 L C 2.714 179.632 176.870 0.080 0.000 1.077 91 L CA 1.414 56.303 54.840 0.082 0.000 0.747 91 L CB -0.461 41.648 42.059 0.083 0.000 0.896 91 L HN 0.222 nan 8.230 nan 0.000 0.432 92 L N -1.332 119.927 121.223 0.059 0.000 2.017 92 L HA -0.252 4.088 4.340 -0.001 0.000 0.208 92 L C 2.569 179.458 176.870 0.032 0.000 1.073 92 L CA 1.462 56.329 54.840 0.044 0.000 0.745 92 L CB -0.632 41.432 42.059 0.008 0.000 0.894 92 L HN 0.313 nan 8.230 nan 0.000 0.432 93 L N -0.031 121.179 121.223 -0.021 0.000 2.017 93 L HA -0.246 4.093 4.340 -0.001 0.000 0.208 93 L C 2.786 179.666 176.870 0.015 0.000 1.073 93 L CA 1.491 56.315 54.840 -0.027 0.000 0.745 93 L CB -0.507 41.512 42.059 -0.066 0.000 0.894 93 L HN 0.291 nan 8.230 nan 0.000 0.432 94 K N -0.536 119.888 120.400 0.039 0.000 2.032 94 K HA -0.297 4.023 4.320 -0.001 0.000 0.209 94 K C 2.176 178.813 176.600 0.061 0.000 1.048 94 K CA 1.985 58.302 56.287 0.050 0.000 0.927 94 K CB -0.248 32.292 32.500 0.067 0.000 0.712 94 K HN 0.248 nan 8.250 nan 0.000 0.441 95 H N 0.531 119.603 119.070 0.003 0.000 2.290 95 H HA -0.097 4.459 4.556 -0.000 0.000 0.298 95 H C 2.261 177.588 175.328 -0.002 0.000 1.087 95 H CA 2.702 58.752 56.048 0.004 0.000 1.291 95 H CB -0.200 29.567 29.762 0.008 0.000 1.369 95 H HN 0.451 nan 8.280 nan 0.000 0.492 96 S N -0.230 115.509 115.700 0.065 0.000 2.383 96 S HA -0.126 4.343 4.470 -0.001 0.000 0.227 96 S C 2.339 176.920 174.600 -0.032 0.000 1.026 96 S CA 1.102 59.306 58.200 0.005 0.000 0.981 96 S CB -0.684 62.530 63.200 0.024 0.000 0.818 96 S HN 0.423 nan 8.310 nan 0.000 0.472 97 L N 1.259 122.469 121.223 -0.023 0.000 2.046 97 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 97 L C 2.896 179.741 176.870 -0.040 0.000 1.077 97 L CA 1.836 56.660 54.840 -0.026 0.000 0.747 97 L CB -0.470 41.580 42.059 -0.014 0.000 0.896 97 L HN 0.438 nan 8.230 nan 0.000 0.432 98 E N -0.503 119.661 120.200 -0.060 0.000 2.085 98 E HA -0.311 4.038 4.350 -0.001 0.000 0.194 98 E C 1.980 178.526 176.600 -0.091 0.000 0.994 98 E CA 1.479 57.834 56.400 -0.075 0.000 0.801 98 E CB -0.016 29.623 29.700 -0.101 0.000 0.743 98 E HN 0.473 nan 8.360 nan 0.000 0.453 99 E N 0.551 120.677 120.200 -0.124 0.000 2.077 99 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 99 E C 1.890 178.456 176.600 -0.058 0.000 0.989 99 E CA 0.888 57.225 56.400 -0.104 0.000 0.800 99 E CB 0.220 29.851 29.700 -0.116 0.000 0.746 99 E HN 0.127 nan 8.360 nan 0.000 0.452 100 E N 0.583 120.755 120.200 -0.046 0.000 2.072 100 E HA -0.159 4.190 4.350 -0.001 0.000 0.191 100 E C 2.336 178.922 176.600 -0.024 0.000 0.985 100 E CA 0.685 57.067 56.400 -0.029 0.000 0.801 100 E CB -0.235 29.451 29.700 -0.024 0.000 0.750 100 E HN 0.383 nan 8.360 nan 0.000 0.452 101 L N 0.432 121.640 121.223 -0.025 0.000 2.046 101 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 101 L C 2.827 179.686 176.870 -0.018 0.000 1.077 101 L CA 1.082 55.912 54.840 -0.016 0.000 0.747 101 L CB -0.387 41.664 42.059 -0.014 0.000 0.896 101 L HN 0.069 nan 8.230 nan 0.000 0.432 102 R N 0.403 120.887 120.500 -0.027 0.000 2.083 102 R HA -0.180 4.160 4.340 -0.001 0.000 0.237 102 R C 2.440 178.728 176.300 -0.019 0.000 1.137 102 R CA 1.540 57.625 56.100 -0.025 0.000 0.951 102 R CB -0.102 30.177 30.300 -0.035 0.000 0.851 102 R HN 0.271 nan 8.270 nan 0.000 0.434 103 R N -0.225 120.263 120.500 -0.020 0.000 2.152 103 R HA -0.065 4.274 4.340 -0.001 0.000 0.232 103 R C 1.912 178.205 176.300 -0.011 0.000 1.117 103 R CA 1.155 57.246 56.100 -0.015 0.000 0.981 103 R CB -0.046 30.244 30.300 -0.015 0.000 0.870 103 R HN 0.251 nan 8.270 nan 0.000 0.451 104 R N -0.686 119.808 120.500 -0.010 0.000 2.317 104 R HA 0.082 4.421 4.340 -0.001 0.000 0.208 104 R C 0.911 177.208 176.300 -0.005 0.000 0.914 104 R CA 0.529 56.626 56.100 -0.006 0.000 1.060 104 R CB 0.746 31.044 30.300 -0.004 0.000 1.015 104 R HN 0.385 nan 8.270 nan 0.000 0.498 105 G N 0.605 109.401 108.800 -0.007 0.000 2.194 105 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.236 105 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.236 105 G C -0.205 174.692 174.900 -0.005 0.000 0.987 105 G CA -0.505 44.592 45.100 -0.006 0.000 0.635 105 G HN 0.097 nan 8.290 nan 0.000 0.520 106 L N 1.611 122.831 121.223 -0.005 0.000 2.270 106 L HA 0.510 4.850 4.340 -0.001 0.000 0.286 106 L C 0.148 177.013 176.870 -0.008 0.000 1.059 106 L CA -0.679 54.158 54.840 -0.004 0.000 0.839 106 L CB 1.259 43.318 42.059 -0.000 0.000 1.221 106 L HN 0.115 nan 8.230 nan 0.000 0.431 107 N N 2.687 121.382 118.700 -0.008 0.000 2.868 107 N HA 0.389 5.129 4.740 -0.001 0.000 0.252 107 N C -0.846 174.659 175.510 -0.008 0.000 1.130 107 N CA -0.112 52.932 53.050 -0.010 0.000 1.026 107 N CB 0.474 38.956 38.487 -0.009 0.000 1.335 107 N HN 0.391 nan 8.380 nan 0.000 0.516 108 V N -0.381 119.527 119.914 -0.009 0.000 3.040 108 V HA 0.621 4.741 4.120 -0.001 0.000 0.312 108 V C -0.275 175.815 176.094 -0.006 0.000 1.115 108 V CA -1.134 61.164 62.300 -0.004 0.000 0.998 108 V CB 1.761 33.584 31.823 0.001 0.000 1.042 108 V HN 0.096 nan 8.190 nan 0.000 0.433 109 L N 2.346 123.569 121.223 0.000 0.000 2.343 109 L HA 0.675 5.014 4.340 -0.001 0.000 0.275 109 L C -0.545 176.331 176.870 0.009 0.000 1.056 109 L CA -0.872 53.970 54.840 0.003 0.000 0.804 109 L CB 1.866 43.931 42.059 0.010 0.000 1.203 109 L HN 0.541 nan 8.230 nan 0.000 0.440 110 V N 3.650 123.572 119.914 0.012 0.000 2.357 110 V HA 0.339 4.459 4.120 -0.001 0.000 0.284 110 V C -2.014 174.097 176.094 0.029 0.000 1.018 110 V CA -1.479 60.832 62.300 0.019 0.000 0.841 110 V CB 1.401 33.233 31.823 0.016 0.000 0.991 110 V HN 0.611 nan 8.190 nan 0.000 0.437 111 P HA 0.344 nan 4.420 nan 0.000 0.281 111 P C -0.946 176.379 177.300 0.042 0.000 1.249 111 P CA -0.303 62.818 63.100 0.035 0.000 0.810 111 P CB 2.036 33.755 31.700 0.030 0.000 1.008 112 V N 3.155 123.099 119.914 0.049 0.000 2.378 112 V HA 0.175 4.294 4.120 -0.001 0.000 0.288 112 V C 0.236 176.362 176.094 0.054 0.000 1.016 112 V CA -0.701 61.635 62.300 0.060 0.000 0.840 112 V CB 1.844 33.711 31.823 0.073 0.000 0.994 112 V HN 0.260 nan 8.190 nan 0.000 0.431 113 V N 6.159 126.101 119.914 0.048 0.000 2.364 113 V HA 0.375 4.495 4.120 -0.001 0.000 0.272 113 V C 0.214 176.334 176.094 0.042 0.000 1.036 113 V CA -0.652 61.671 62.300 0.039 0.000 0.880 113 V CB 1.401 33.241 31.823 0.028 0.000 0.991 113 V HN 0.568 nan 8.190 nan 0.000 0.460 114 I N 4.526 125.124 120.570 0.047 0.000 2.517 114 I HA 0.177 4.347 4.170 -0.001 0.000 0.285 114 I C 0.641 176.783 176.117 0.040 0.000 1.106 114 I CA 0.789 62.121 61.300 0.053 0.000 1.402 114 I CB 0.317 38.354 38.000 0.060 0.000 1.399 114 I HN 0.618 nan 8.210 nan 0.000 0.535 115 S N 7.559 123.279 115.700 0.033 0.000 2.502 115 S HA 0.643 5.112 4.470 -0.001 0.000 0.304 115 S C -0.098 174.516 174.600 0.022 0.000 1.097 115 S CA -0.941 57.271 58.200 0.020 0.000 1.045 115 S CB 2.230 65.430 63.200 -0.000 0.000 1.019 115 S HN 0.450 nan 8.310 nan 0.000 0.481 116 R N 0.881 121.394 120.500 0.020 0.000 2.604 116 R HA 0.752 5.092 4.340 -0.001 0.000 0.287 116 R C -1.111 175.194 176.300 0.010 0.000 0.970 116 R CA -0.768 55.343 56.100 0.019 0.000 0.946 116 R CB 1.826 32.135 30.300 0.015 0.000 1.127 116 R HN 0.421 nan 8.270 nan 0.000 0.473 117 V N 4.234 124.154 119.914 0.010 0.000 2.588 117 V HA 0.395 4.514 4.120 -0.001 0.000 0.304 117 V C -1.165 174.938 176.094 0.015 0.000 1.042 117 V CA -1.050 61.255 62.300 0.008 0.000 0.877 117 V CB 1.779 33.604 31.823 0.003 0.000 0.996 117 V HN 0.580 nan 8.190 nan 0.000 0.425 118 L N 8.270 129.502 121.223 0.015 0.000 2.331 118 L HA 0.725 5.064 4.340 -0.001 0.000 0.278 118 L C -0.165 176.727 176.870 0.036 0.000 1.106 118 L CA 0.611 55.463 54.840 0.021 0.000 0.824 118 L CB 1.393 43.461 42.059 0.015 0.000 1.142 118 L HN 0.732 nan 8.230 nan 0.000 0.443 119 V N 1.107 121.057 119.914 0.060 0.000 3.158 119 V HA 0.658 4.778 4.120 -0.001 0.000 0.311 119 V C -0.965 175.198 176.094 0.115 0.000 1.181 119 V CA -0.925 61.434 62.300 0.097 0.000 1.054 119 V CB 1.915 33.825 31.823 0.146 0.000 1.085 119 V HN 0.761 nan 8.190 nan 0.000 0.446 120 D N 0.278 120.770 120.400 0.154 0.000 2.256 120 D HA 0.324 4.964 4.640 -0.001 0.000 0.240 120 D C 0.593 177.003 176.300 0.182 0.000 1.062 120 D CA -0.184 53.889 54.000 0.122 0.000 0.832 120 D CB 2.324 43.178 40.800 0.090 0.000 1.135 120 D HN 0.498 nan 8.370 nan 0.000 0.484 121 V N 3.775 123.679 119.914 -0.016 0.000 2.720 121 V HA -0.190 3.929 4.120 -0.001 0.000 0.256 121 V C 1.890 177.922 176.094 -0.103 0.000 1.082 121 V CA 2.531 64.664 62.300 -0.278 0.000 1.101 121 V CB -0.242 31.400 31.823 -0.302 0.000 0.693 121 V HN 0.648 nan 8.190 nan 0.000 0.479 122 S N -1.403 114.318 115.700 0.035 0.000 2.593 122 S HA 0.011 4.480 4.470 -0.001 0.000 0.217 122 S C 0.821 175.512 174.600 0.151 0.000 0.966 122 S CA -0.082 58.160 58.200 0.071 0.000 0.914 122 S CB -0.474 62.749 63.200 0.039 0.000 0.776 122 S HN 0.705 nan 8.310 nan 0.000 0.523 123 D N 3.084 123.640 120.400 0.261 0.000 2.493 123 D HA 0.066 4.705 4.640 -0.001 0.000 0.240 123 D C -1.601 174.809 176.300 0.184 0.000 1.142 123 D CA -1.165 52.961 54.000 0.209 0.000 0.872 123 D CB 1.212 42.129 40.800 0.196 0.000 1.173 123 D HN 0.050 nan 8.370 nan 0.000 0.467 124 P HA -0.123 nan 4.420 nan 0.000 0.218 124 P C 1.353 178.676 177.300 0.038 0.000 1.146 124 P CA 0.708 63.846 63.100 0.064 0.000 0.813 124 P CB 0.225 31.946 31.700 0.035 0.000 0.778 125 S N -2.010 113.669 115.700 -0.034 0.000 2.419 125 S HA -0.133 4.336 4.470 -0.001 0.000 0.233 125 S C 1.559 176.075 174.600 -0.140 0.000 1.016 125 S CA 0.827 58.950 58.200 -0.128 0.000 0.974 125 S CB -0.945 62.108 63.200 -0.245 0.000 0.786 125 S HN -0.035 nan 8.310 nan 0.000 0.492 126 F N 1.931 121.882 119.950 0.002 0.000 2.202 126 F HA -0.001 4.526 4.527 -0.001 0.000 0.301 126 F C 2.106 177.911 175.800 0.008 0.000 1.082 126 F CA 1.232 59.233 58.000 0.002 0.000 1.313 126 F CB -0.372 38.630 39.000 0.004 0.000 1.024 126 F HN 0.334 nan 8.300 nan 0.000 0.495 127 N N -1.320 117.484 118.700 0.174 0.000 2.236 127 N HA -0.020 4.720 4.740 -0.001 0.000 0.196 127 N C 0.157 175.707 175.510 0.068 0.000 1.114 127 N CA 0.036 53.153 53.050 0.112 0.000 0.859 127 N CB 0.150 38.694 38.487 0.096 0.000 0.982 127 N HN 0.008 nan 8.380 nan 0.000 0.493 128 N N 1.098 119.824 118.700 0.044 0.000 2.672 128 N HA 0.153 4.893 4.740 -0.001 0.000 0.295 128 N C -2.894 172.612 175.510 -0.007 0.000 1.924 128 N CA -1.947 51.116 53.050 0.022 0.000 0.851 128 N CB 0.623 39.123 38.487 0.021 0.000 1.281 128 N HN -0.046 nan 8.380 nan 0.000 0.494 129 P HA 0.112 nan 4.420 nan 0.000 0.268 129 P C -0.044 177.235 177.300 -0.036 0.000 1.204 129 P CA 0.195 63.264 63.100 -0.051 0.000 0.768 129 P CB 1.218 32.886 31.700 -0.053 0.000 0.842 130 S N 0.081 115.752 115.700 -0.049 0.000 2.820 130 S HA 0.129 4.599 4.470 -0.001 0.000 0.265 130 S C 0.392 174.971 174.600 -0.035 0.000 1.043 130 S CA -0.411 57.773 58.200 -0.028 0.000 1.245 130 S CB -0.045 63.145 63.200 -0.017 0.000 1.187 130 S HN 0.289 nan 8.310 nan 0.000 0.673 131 K N 4.047 124.412 120.400 -0.059 0.000 2.284 131 K HA 0.502 4.821 4.320 -0.001 0.000 0.287 131 K C -3.147 173.418 176.600 -0.060 0.000 1.081 131 K CA -2.190 54.062 56.287 -0.058 0.000 0.910 131 K CB 0.309 32.763 32.500 -0.076 0.000 1.088 131 K HN 0.094 nan 8.250 nan 0.000 0.478 132 P HA 0.031 nan 4.420 nan 0.000 0.271 132 P C -1.168 176.109 177.300 -0.038 0.000 1.216 132 P CA -0.451 62.634 63.100 -0.024 0.000 0.771 132 P CB 0.935 32.637 31.700 0.003 0.000 0.864 133 V N -0.088 119.795 119.914 -0.051 0.000 3.147 133 V HA 0.968 5.088 4.120 -0.001 0.000 0.306 133 V C -0.021 176.054 176.094 -0.032 0.000 1.209 133 V CA -0.190 62.075 62.300 -0.057 0.000 1.023 133 V CB 1.343 33.103 31.823 -0.105 0.000 1.059 133 V HN 0.943 nan 8.190 nan 0.000 0.435 134 G N 2.229 111.021 108.800 -0.013 0.000 2.760 134 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.246 134 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.246 134 G C -2.649 172.259 174.900 0.012 0.000 1.359 134 G CA -0.158 44.955 45.100 0.021 0.000 0.861 134 G HN 1.114 nan 8.290 nan 0.000 0.541 135 P HA 0.492 nan 4.420 nan 0.000 0.274 135 P C 0.050 177.217 177.300 -0.222 0.000 1.256 135 P CA -0.442 62.552 63.100 -0.177 0.000 0.795 135 P CB 0.637 32.153 31.700 -0.306 0.000 1.038 136 I N 1.015 121.478 120.570 -0.178 0.000 2.352 136 I HA 0.172 4.342 4.170 -0.001 0.000 0.290 136 I C 0.210 176.256 176.117 -0.119 0.000 1.036 136 I CA -0.314 60.953 61.300 -0.054 0.000 1.336 136 I CB -0.097 37.900 38.000 -0.004 0.000 1.407 136 I HN 0.257 nan 8.210 nan 0.000 0.497 137 Y N 3.892 124.306 120.300 0.191 0.000 2.568 137 Y HA 0.627 5.177 4.550 -0.001 0.000 0.327 137 Y C 0.952 176.937 175.900 0.142 0.000 1.163 137 Y CA -0.578 57.602 58.100 0.133 0.000 1.219 137 Y CB 1.303 39.812 38.460 0.083 0.000 1.308 137 Y HN 0.533 nan 8.280 nan 0.000 0.503 138 G N 0.223 109.186 108.800 0.270 0.000 2.528 138 G HA2 0.240 4.200 3.960 -0.001 0.000 0.289 138 G HA3 0.240 4.200 3.960 -0.001 0.000 0.289 138 G C 0.659 175.580 174.900 0.035 0.000 1.192 138 G CA -0.596 44.617 45.100 0.189 0.000 0.921 138 G HN 0.756 nan 8.290 nan 0.000 0.512 139 R N -0.575 119.932 120.500 0.012 0.000 2.083 139 R HA -0.135 4.205 4.340 -0.001 0.000 0.237 139 R C 2.248 178.318 176.300 -0.383 0.000 1.137 139 R CA 2.174 58.045 56.100 -0.381 0.000 0.951 139 R CB -0.250 29.998 30.300 -0.087 0.000 0.851 139 R HN 0.784 nan 8.270 nan 0.000 0.434 140 E N 0.156 120.240 120.200 -0.194 0.000 2.047 140 E HA -0.210 4.140 4.350 -0.001 0.000 0.191 140 E C 1.652 178.123 176.600 -0.215 0.000 0.987 140 E CA 1.531 57.826 56.400 -0.176 0.000 0.799 140 E CB 0.074 29.715 29.700 -0.098 0.000 0.752 140 E HN 0.479 nan 8.360 nan 0.000 0.449 141 E N 0.499 120.588 120.200 -0.186 0.000 2.051 141 E HA -0.214 4.135 4.350 -0.001 0.000 0.192 141 E C 2.141 178.498 176.600 -0.405 0.000 0.991 141 E CA 0.950 57.218 56.400 -0.219 0.000 0.799 141 E CB -0.221 29.430 29.700 -0.082 0.000 0.748 141 E HN 0.344 nan 8.360 nan 0.000 0.449 142 A N 1.950 124.430 122.820 -0.567 0.000 1.865 142 A HA -0.264 4.055 4.320 -0.001 0.000 0.217 142 A C 2.016 179.198 177.584 -0.670 0.000 1.191 142 A CA 1.711 53.112 52.037 -1.060 0.000 0.623 142 A CB -0.556 17.567 19.000 -1.462 0.000 0.826 142 A HN 0.192 nan 8.150 nan 0.000 0.444 143 E N -0.778 119.126 120.200 -0.493 0.000 2.153 143 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 143 E C 2.037 178.521 176.600 -0.192 0.000 0.988 143 E CA 0.970 57.209 56.400 -0.268 0.000 0.811 143 E CB -0.119 29.437 29.700 -0.239 0.000 0.746 143 E HN 0.643 nan 8.360 nan 0.000 0.466 144 E N 1.260 121.320 120.200 -0.234 0.000 2.106 144 E HA -0.146 4.203 4.350 -0.001 0.000 0.192 144 E C 2.086 178.525 176.600 -0.268 0.000 0.984 144 E CA 0.692 56.959 56.400 -0.221 0.000 0.806 144 E CB -0.025 29.545 29.700 -0.218 0.000 0.750 144 E HN 0.293 nan 8.360 nan 0.000 0.458 145 L N 0.397 121.458 121.223 -0.269 0.000 2.141 145 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 145 L C 2.616 179.395 176.870 -0.153 0.000 1.094 145 L CA 0.843 55.502 54.840 -0.300 0.000 0.763 145 L CB -0.217 41.789 42.059 -0.087 0.000 0.908 145 L HN 0.022 nan 8.230 nan 0.000 0.437 146 S N -0.449 115.296 115.700 0.074 0.000 2.368 146 S HA -0.103 4.367 4.470 -0.001 0.000 0.224 146 S C 2.050 176.645 174.600 -0.009 0.000 1.029 146 S CA 1.006 59.294 58.200 0.145 0.000 0.988 146 S CB -0.093 63.224 63.200 0.195 0.000 0.838 146 S HN 0.374 nan 8.310 nan 0.000 0.462 147 R N 0.674 121.121 120.500 -0.089 0.000 2.090 147 R HA 0.101 4.440 4.340 -0.001 0.000 0.228 147 R C 2.594 178.786 176.300 -0.179 0.000 1.110 147 R CA 0.755 56.790 56.100 -0.108 0.000 0.973 147 R CB -0.177 30.053 30.300 -0.116 0.000 0.869 147 R HN 0.249 nan 8.270 nan 0.000 0.440 148 R N -0.233 120.067 120.500 -0.333 0.000 2.062 148 R HA -0.107 4.233 4.340 -0.001 0.000 0.229 148 R C 1.007 177.008 176.300 -0.499 0.000 1.128 148 R CA 1.505 57.286 56.100 -0.531 0.000 0.960 148 R CB 0.152 29.905 30.300 -0.912 0.000 0.855 148 R HN 0.229 nan 8.270 nan 0.000 0.432 149 Y N -2.156 117.949 120.300 -0.324 0.000 2.426 149 Y HA 0.346 4.895 4.550 -0.001 0.000 0.249 149 Y C 1.220 177.064 175.900 -0.093 0.000 1.103 149 Y CA 0.108 58.010 58.100 -0.330 0.000 1.256 149 Y CB 0.902 38.835 38.460 -0.878 0.000 1.208 149 Y HN 0.307 nan 8.280 nan 0.000 0.519 150 G N -1.137 107.720 108.800 0.095 0.000 2.141 150 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.242 150 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.242 150 G C -0.128 174.959 174.900 0.311 0.000 0.982 150 G CA -0.324 44.881 45.100 0.175 0.000 0.662 150 G HN 0.111 nan 8.290 nan 0.000 0.527 151 W N -0.426 120.936 121.300 0.103 0.000 2.112 151 W HA 0.534 5.194 4.660 -0.001 0.000 0.349 151 W C 0.623 177.093 176.519 -0.082 0.000 1.289 151 W CA -0.809 56.515 57.345 -0.036 0.000 1.256 151 W CB 0.409 29.794 29.460 -0.126 0.000 1.148 151 W HN 0.127 nan 8.180 nan 0.000 0.590 152 V N 3.229 123.135 119.914 -0.013 0.000 2.581 152 V HA 0.482 4.601 4.120 -0.001 0.000 0.303 152 V C -0.555 175.413 176.094 -0.210 0.000 1.041 152 V CA -0.935 61.369 62.300 0.006 0.000 0.907 152 V CB 1.221 33.063 31.823 0.031 0.000 0.994 152 V HN 0.215 nan 8.190 nan 0.000 0.442 153 F N 2.272 122.334 119.950 0.186 0.000 2.579 153 F HA 0.640 5.167 4.527 -0.001 0.000 0.324 153 F C 0.082 176.020 175.800 0.231 0.000 1.058 153 F CA -0.785 57.357 58.000 0.236 0.000 0.944 153 F CB 2.037 41.227 39.000 0.316 0.000 1.245 153 F HN 0.255 nan 8.300 nan 0.000 0.477 154 K N 2.184 122.834 120.400 0.418 0.000 2.376 154 K HA 0.424 4.743 4.320 -0.001 0.000 0.257 154 K C -0.894 175.801 176.600 0.157 0.000 0.939 154 K CA -0.809 55.620 56.287 0.237 0.000 0.809 154 K CB 1.575 34.149 32.500 0.123 0.000 1.121 154 K HN 0.730 nan 8.250 nan 0.000 0.425 155 R N 3.118 123.613 120.500 -0.008 0.000 2.308 155 R HA 0.071 4.411 4.340 -0.001 0.000 0.305 155 R C -0.617 175.546 176.300 -0.228 0.000 1.053 155 R CA -0.322 55.534 56.100 -0.407 0.000 0.957 155 R CB 0.558 30.514 30.300 -0.574 0.000 1.022 155 R HN 0.731 nan 8.270 nan 0.000 0.461 156 D N 4.241 124.499 120.400 -0.237 0.000 2.388 156 D HA 0.231 4.870 4.640 -0.001 0.000 0.254 156 D C -1.887 174.336 176.300 -0.128 0.000 1.111 156 D CA -1.965 51.959 54.000 -0.127 0.000 0.993 156 D CB 0.628 41.379 40.800 -0.082 0.000 1.118 156 D HN 0.207 nan 8.370 nan 0.000 0.502 157 P HA -0.122 nan 4.420 nan 0.000 0.218 157 P C 0.795 178.057 177.300 -0.064 0.000 1.146 157 P CA 1.256 64.319 63.100 -0.063 0.000 0.813 157 P CB 0.129 31.804 31.700 -0.042 0.000 0.778 158 R N -1.939 118.520 120.500 -0.068 0.000 2.310 158 R HA 0.250 4.589 4.340 -0.001 0.000 0.202 158 R C 1.274 177.531 176.300 -0.072 0.000 0.933 158 R CA 0.656 56.723 56.100 -0.055 0.000 1.054 158 R CB -0.393 29.884 30.300 -0.038 0.000 0.985 158 R HN 0.164 nan 8.270 nan 0.000 0.489 159 G N 0.036 108.755 108.800 -0.136 0.000 2.157 159 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.248 159 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.248 159 G C 0.339 175.085 174.900 -0.257 0.000 0.979 159 G CA -0.184 44.805 45.100 -0.185 0.000 0.650 159 G HN 0.526 nan 8.290 nan 0.000 0.529 160 G N -0.667 108.002 108.800 -0.217 0.000 2.448 160 G HA2 0.611 4.570 3.960 -0.001 0.000 0.285 160 G HA3 0.611 4.570 3.960 -0.001 0.000 0.285 160 G C -0.640 174.098 174.900 -0.270 0.000 1.176 160 G CA -0.743 44.290 45.100 -0.112 0.000 0.852 160 G HN 0.288 nan 8.290 nan 0.000 0.530 161 F N 0.176 120.186 119.950 0.101 0.000 2.467 161 F HA 0.554 5.081 4.527 -0.001 0.000 0.336 161 F C 0.754 176.759 175.800 0.342 0.000 1.123 161 F CA -0.651 57.452 58.000 0.171 0.000 0.964 161 F CB 2.300 41.310 39.000 0.017 0.000 1.136 161 F HN 0.145 nan 8.300 nan 0.000 0.447 162 R N 1.851 122.684 120.500 0.554 0.000 2.670 162 R HA 0.441 4.781 4.340 -0.001 0.000 0.289 162 R C -0.417 176.164 176.300 0.469 0.000 0.965 162 R CA -1.194 55.199 56.100 0.487 0.000 0.899 162 R CB 2.531 32.957 30.300 0.210 0.000 1.173 162 R HN 0.631 nan 8.270 nan 0.000 0.456 163 R N 1.981 122.613 120.500 0.220 0.000 2.590 163 R HA 0.160 4.500 4.340 -0.001 0.000 0.274 163 R C -0.440 175.735 176.300 -0.207 0.000 1.061 163 R CA -0.158 55.717 56.100 -0.376 0.000 1.081 163 R CB 0.599 30.573 30.300 -0.542 0.000 0.984 163 R HN 0.428 nan 8.270 nan 0.000 0.448 164 V N 2.858 122.633 119.914 -0.232 0.000 2.555 164 V HA 0.691 4.810 4.120 -0.001 0.000 0.302 164 V C -0.097 175.889 176.094 -0.180 0.000 1.038 164 V CA -0.869 61.348 62.300 -0.138 0.000 0.887 164 V CB 1.403 33.193 31.823 -0.055 0.000 0.991 164 V HN 0.615 nan 8.190 nan 0.000 0.434 165 V N 0.992 120.811 119.914 -0.159 0.000 3.074 165 V HA 0.818 4.937 4.120 -0.001 0.000 0.314 165 V C -2.893 173.115 176.094 -0.145 0.000 1.117 165 V CA -2.897 59.307 62.300 -0.159 0.000 1.014 165 V CB 1.780 33.496 31.823 -0.178 0.000 1.057 165 V HN 0.731 nan 8.190 nan 0.000 0.438 166 P HA 0.268 nan 4.420 nan 0.000 0.268 166 P C -0.373 176.751 177.300 -0.293 0.000 1.205 166 P CA 0.178 63.100 63.100 -0.298 0.000 0.771 166 P CB 0.695 32.064 31.700 -0.552 0.000 0.858 167 S N 1.996 117.532 115.700 -0.273 0.000 2.112 167 S HA 0.380 4.850 4.470 -0.001 0.000 0.151 167 S C -2.465 172.009 174.600 -0.211 0.000 1.723 167 S CA -1.494 56.584 58.200 -0.204 0.000 1.263 167 S CB -0.011 63.114 63.200 -0.126 0.000 1.194 167 S HN 0.250 nan 8.310 nan 0.000 0.419 168 P HA 0.197 nan 4.420 nan 0.000 0.272 168 P C -0.313 176.932 177.300 -0.092 0.000 1.230 168 P CA -0.523 62.447 63.100 -0.216 0.000 0.788 168 P CB 0.633 32.165 31.700 -0.280 0.000 0.949 169 R N 2.140 122.614 120.500 -0.043 0.000 2.491 169 R HA 0.356 4.695 4.340 -0.001 0.000 0.283 169 R C -2.090 174.210 176.300 -0.000 0.000 1.072 169 R CA -1.833 54.257 56.100 -0.017 0.000 1.048 169 R CB -0.799 29.500 30.300 -0.001 0.000 0.983 169 R HN 0.351 nan 8.270 nan 0.000 0.450 170 P HA -0.009 nan 4.420 nan 0.000 0.271 170 P C 0.145 177.455 177.300 0.016 0.000 1.216 170 P CA -0.330 62.774 63.100 0.007 0.000 0.771 170 P CB 1.430 33.130 31.700 -0.001 0.000 0.864 171 V N 1.633 121.559 119.914 0.021 0.000 2.788 171 V HA 0.096 4.216 4.120 -0.001 0.000 0.241 171 V C 1.205 177.310 176.094 0.019 0.000 1.083 171 V CA 1.274 63.587 62.300 0.022 0.000 1.103 171 V CB 0.141 31.980 31.823 0.026 0.000 0.800 171 V HN 0.748 nan 8.190 nan 0.000 0.476 172 S N -0.909 114.801 115.700 0.017 0.000 2.547 172 S HA 0.544 5.013 4.470 -0.001 0.000 0.270 172 S C -1.766 172.841 174.600 0.012 0.000 1.150 172 S CA -0.574 57.636 58.200 0.015 0.000 0.850 172 S CB 1.581 64.790 63.200 0.014 0.000 1.118 172 S HN 0.028 nan 8.310 nan 0.000 0.461 173 I N 4.836 125.413 120.570 0.012 0.000 2.291 173 I HA 0.218 4.388 4.170 -0.001 0.000 0.292 173 I C 1.602 177.725 176.117 0.010 0.000 1.064 173 I CA -0.013 61.292 61.300 0.009 0.000 1.269 173 I CB 0.449 38.453 38.000 0.008 0.000 1.418 173 I HN 0.554 nan 8.210 nan 0.000 0.485 174 V N 5.248 125.167 119.914 0.008 0.000 2.324 174 V HA -0.232 3.887 4.120 -0.001 0.000 0.250 174 V C 1.309 177.409 176.094 0.010 0.000 1.060 174 V CA 1.786 64.091 62.300 0.008 0.000 1.042 174 V CB -0.426 31.401 31.823 0.006 0.000 0.650 174 V HN 0.665 nan 8.190 nan 0.000 0.450 175 D N -0.731 119.676 120.400 0.011 0.000 2.395 175 D HA 0.041 4.681 4.640 -0.001 0.000 0.226 175 D C 1.954 178.262 176.300 0.014 0.000 1.146 175 D CA -0.117 53.891 54.000 0.014 0.000 0.830 175 D CB 0.015 40.825 40.800 0.016 0.000 0.958 175 D HN 0.356 nan 8.370 nan 0.000 0.501 176 R N 1.362 121.869 120.500 0.013 0.000 2.113 176 R HA -0.187 4.153 4.340 -0.001 0.000 0.244 176 R C 0.814 177.124 176.300 0.017 0.000 1.142 176 R CA 1.527 57.636 56.100 0.015 0.000 0.953 176 R CB 0.060 30.371 30.300 0.017 0.000 0.860 176 R HN -0.009 nan 8.270 nan 0.000 0.438 177 D N 0.659 121.068 120.400 0.016 0.000 2.144 177 D HA -0.146 4.494 4.640 -0.001 0.000 0.199 177 D C 2.042 178.352 176.300 0.017 0.000 0.984 177 D CA 1.039 55.049 54.000 0.016 0.000 0.834 177 D CB -0.199 40.609 40.800 0.014 0.000 0.955 177 D HN 0.310 nan 8.370 nan 0.000 0.465 178 L N 0.229 121.462 121.223 0.017 0.000 2.093 178 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 178 L C 2.412 179.294 176.870 0.019 0.000 1.085 178 L CA 0.573 55.424 54.840 0.018 0.000 0.755 178 L CB -0.200 41.870 42.059 0.020 0.000 0.904 178 L HN 0.025 nan 8.230 nan 0.000 0.435 179 I N -0.222 120.359 120.570 0.018 0.000 2.252 179 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 179 I C 2.791 178.920 176.117 0.021 0.000 1.102 179 I CA 1.077 62.388 61.300 0.018 0.000 1.385 179 I CB -0.440 37.569 38.000 0.014 0.000 1.064 179 I HN 0.173 nan 8.210 nan 0.000 0.414 180 A N 0.636 123.469 122.820 0.021 0.000 1.902 180 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 180 A C 2.201 179.798 177.584 0.022 0.000 1.181 180 A CA 1.634 53.685 52.037 0.024 0.000 0.623 180 A CB -0.546 18.468 19.000 0.024 0.000 0.818 180 A HN 0.445 nan 8.150 nan 0.000 0.443 181 E N -0.191 120.021 120.200 0.020 0.000 2.072 181 E HA -0.091 4.259 4.350 -0.001 0.000 0.191 181 E C 2.313 178.924 176.600 0.019 0.000 0.985 181 E CA 0.903 57.315 56.400 0.019 0.000 0.801 181 E CB -0.296 29.414 29.700 0.017 0.000 0.750 181 E HN 0.616 nan 8.360 nan 0.000 0.452 182 A N 1.001 123.833 122.820 0.021 0.000 1.902 182 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 182 A C 2.274 179.871 177.584 0.023 0.000 1.181 182 A CA 1.720 53.770 52.037 0.022 0.000 0.623 182 A CB -0.592 18.422 19.000 0.023 0.000 0.818 182 A HN 0.214 nan 8.150 nan 0.000 0.443 183 S N -0.490 115.225 115.700 0.024 0.000 2.399 183 S HA 0.002 4.471 4.470 -0.001 0.000 0.231 183 S C 2.068 176.684 174.600 0.027 0.000 1.022 183 S CA 1.378 59.595 58.200 0.028 0.000 0.983 183 S CB -0.413 62.806 63.200 0.032 0.000 0.803 183 S HN 0.783 nan 8.310 nan 0.000 0.480 184 A N 0.843 123.677 122.820 0.023 0.000 1.969 184 A HA 0.014 4.333 4.320 -0.001 0.000 0.218 184 A C 2.088 179.683 177.584 0.017 0.000 1.169 184 A CA 1.226 53.275 52.037 0.020 0.000 0.635 184 A CB -0.319 18.691 19.000 0.017 0.000 0.810 184 A HN 0.495 nan 8.150 nan 0.000 0.445 185 E N -0.652 119.558 120.200 0.018 0.000 2.340 185 E HA 0.102 4.451 4.350 -0.001 0.000 0.194 185 E C 0.094 176.704 176.600 0.016 0.000 0.996 185 E CA 0.443 56.852 56.400 0.015 0.000 0.869 185 E CB 0.342 30.051 29.700 0.015 0.000 0.835 185 E HN 0.362 nan 8.360 nan 0.000 0.493 186 S N 0.331 116.042 115.700 0.020 0.000 2.540 186 S HA 0.316 4.785 4.470 -0.001 0.000 0.275 186 S C -2.319 172.297 174.600 0.026 0.000 1.123 186 S CA -1.506 56.706 58.200 0.020 0.000 0.907 186 S CB 1.839 65.051 63.200 0.019 0.000 1.081 186 S HN -0.220 nan 8.310 nan 0.000 0.476 187 P HA 0.170 nan 4.420 nan 0.000 0.233 187 P C -0.078 177.248 177.300 0.043 0.000 1.167 187 P CA 0.331 63.455 63.100 0.041 0.000 0.770 187 P CB 0.107 31.831 31.700 0.039 0.000 0.837 188 A N -0.045 122.793 122.820 0.030 0.000 2.375 188 A HA 0.583 4.903 4.320 -0.001 0.000 0.295 188 A C -0.970 176.627 177.584 0.023 0.000 1.066 188 A CA -0.506 51.545 52.037 0.024 0.000 0.722 188 A CB 1.674 20.685 19.000 0.017 0.000 1.206 188 A HN -0.113 nan 8.150 nan 0.000 0.435 189 V N 2.654 122.581 119.914 0.022 0.000 2.709 189 V HA 0.513 4.633 4.120 -0.001 0.000 0.308 189 V C -0.495 175.614 176.094 0.026 0.000 1.062 189 V CA -0.618 61.697 62.300 0.024 0.000 0.901 189 V CB 2.043 33.880 31.823 0.023 0.000 1.003 189 V HN 0.682 nan 8.190 nan 0.000 0.425 190 V N 3.536 123.473 119.914 0.038 0.000 2.398 190 V HA 0.952 5.071 4.120 -0.001 0.000 0.286 190 V C 0.267 176.391 176.094 0.050 0.000 1.026 190 V CA 0.039 62.374 62.300 0.058 0.000 0.868 190 V CB 1.233 33.105 31.823 0.083 0.000 0.982 190 V HN 1.148 nan 8.190 nan 0.000 0.443 191 A N 3.433 126.267 122.820 0.024 0.000 2.581 191 A HA 0.780 5.099 4.320 -0.001 0.000 0.290 191 A C -0.410 177.128 177.584 -0.077 0.000 1.119 191 A CA -0.752 51.280 52.037 -0.008 0.000 0.670 191 A CB 0.973 19.970 19.000 -0.004 0.000 1.280 191 A HN 1.329 nan 8.150 nan 0.000 0.425 192 L N -0.586 120.590 121.223 -0.077 0.000 3.737 192 L HA -0.135 4.205 4.340 -0.001 0.000 0.418 192 L C 0.820 177.540 176.870 -0.250 0.000 1.216 192 L CA 1.177 55.946 54.840 -0.117 0.000 0.915 192 L CB -1.323 40.677 42.059 -0.098 0.000 1.834 192 L HN 1.711 nan 8.230 nan 0.000 0.943 193 G N -0.255 108.356 108.800 -0.315 0.000 2.305 193 G HA2 0.465 4.425 3.960 -0.001 0.000 0.243 193 G HA3 0.465 4.425 3.960 -0.001 0.000 0.243 193 G C 1.250 175.944 174.900 -0.344 0.000 1.288 193 G CA -0.001 44.689 45.100 -0.683 0.000 0.901 193 G HN 1.750 nan 8.290 nan 0.000 0.516 194 G N 0.766 109.351 108.800 -0.358 0.000 2.168 194 G HA2 0.135 4.094 3.960 -0.001 0.000 0.263 194 G HA3 0.135 4.094 3.960 -0.001 0.000 0.263 194 G C 1.464 176.299 174.900 -0.108 0.000 0.977 194 G CA 1.058 46.078 45.100 -0.132 0.000 0.659 194 G HN 2.601 nan 8.290 nan 0.000 0.533 195 G N -1.933 106.783 108.800 -0.141 0.000 2.213 195 G HA2 0.468 4.428 3.960 -0.001 0.000 0.236 195 G HA3 0.468 4.428 3.960 -0.001 0.000 0.236 195 G C 1.441 176.303 174.900 -0.064 0.000 0.991 195 G CA 0.733 45.778 45.100 -0.092 0.000 0.629 195 G HN 2.964 nan 8.290 nan 0.000 0.517 196 G N -2.190 106.575 108.800 -0.059 0.000 2.587 196 G HA2 0.319 4.278 3.960 -0.001 0.000 0.686 196 G HA3 0.319 4.278 3.960 -0.001 0.000 0.686 196 G C -0.439 174.468 174.900 0.011 0.000 1.236 196 G CA -0.016 45.070 45.100 -0.023 0.000 0.820 196 G HN 1.451 nan 8.290 nan 0.000 0.645 197 V N 3.830 123.766 119.914 0.038 0.000 2.405 197 V HA 0.425 4.544 4.120 -0.001 0.000 0.264 197 V C -1.188 174.935 176.094 0.048 0.000 1.048 197 V CA -0.555 61.791 62.300 0.076 0.000 0.966 197 V CB 1.226 33.120 31.823 0.118 0.000 1.015 197 V HN 0.684 nan 8.190 nan 0.000 0.477 198 P HA 0.359 nan 4.420 nan 0.000 0.279 198 P C -0.806 176.502 177.300 0.014 0.000 1.239 198 P CA 0.037 63.161 63.100 0.041 0.000 0.789 198 P CB 1.788 33.525 31.700 0.062 0.000 0.933 199 V N 1.302 121.219 119.914 0.006 0.000 3.114 199 V HA 0.799 4.918 4.120 -0.001 0.000 0.308 199 V C -0.373 175.718 176.094 -0.005 0.000 1.168 199 V CA -1.160 61.120 62.300 -0.032 0.000 1.015 199 V CB 1.766 33.553 31.823 -0.061 0.000 1.050 199 V HN 0.480 nan 8.190 nan 0.000 0.433 200 V N -0.885 119.010 119.914 -0.031 0.000 2.960 200 V HA 0.711 4.830 4.120 -0.001 0.000 0.315 200 V C -0.381 175.689 176.094 -0.039 0.000 1.087 200 V CA -0.670 61.613 62.300 -0.028 0.000 0.982 200 V CB 1.833 33.618 31.823 -0.064 0.000 1.039 200 V HN 1.037 nan 8.190 nan 0.000 0.437 201 E N 2.742 122.925 120.200 -0.029 0.000 2.259 201 E HA 0.487 4.836 4.350 -0.001 0.000 0.281 201 E C -0.692 175.887 176.600 -0.035 0.000 1.027 201 E CA -0.640 55.743 56.400 -0.028 0.000 0.838 201 E CB 1.161 30.851 29.700 -0.017 0.000 1.066 201 E HN 0.480 nan 8.360 nan 0.000 0.401 202 R N 2.224 122.703 120.500 -0.035 0.000 2.943 202 R HA 0.443 4.783 4.340 -0.001 0.000 0.246 202 R C -2.469 173.816 176.300 -0.026 0.000 1.201 202 R CA -2.598 53.481 56.100 -0.035 0.000 1.056 202 R CB -0.377 29.899 30.300 -0.040 0.000 1.243 202 R HN 0.322 nan 8.270 nan 0.000 0.498 203 P HA -0.007 nan 4.420 nan 0.000 0.257 203 P C 0.368 177.659 177.300 -0.015 0.000 1.162 203 P CA 1.607 64.697 63.100 -0.017 0.000 0.762 203 P CB 0.069 31.759 31.700 -0.016 0.000 0.753 204 G N 3.262 112.055 108.800 -0.012 0.000 2.527 204 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.227 204 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.227 204 G C 0.887 175.781 174.900 -0.011 0.000 1.291 204 G CA -0.215 44.879 45.100 -0.010 0.000 0.904 204 G HN 0.664 nan 8.290 nan 0.000 0.577 205 G N -0.602 108.193 108.800 -0.010 0.000 3.042 205 G HA2 0.452 4.412 3.960 -0.001 0.000 0.212 205 G HA3 0.452 4.412 3.960 -0.001 0.000 0.212 205 G C 0.803 175.694 174.900 -0.014 0.000 1.166 205 G CA 1.048 46.142 45.100 -0.010 0.000 0.767 205 G HN 1.315 nan 8.290 nan 0.000 0.546 206 V N 1.676 121.580 119.914 -0.017 0.000 2.617 206 V HA 0.088 4.207 4.120 -0.001 0.000 0.304 206 V C 0.328 176.404 176.094 -0.031 0.000 1.040 206 V CA 0.394 62.681 62.300 -0.023 0.000 1.149 206 V CB 0.969 32.778 31.823 -0.024 0.000 0.914 206 V HN 0.141 nan 8.190 nan 0.000 0.487 207 L N 5.197 126.398 121.223 -0.037 0.000 2.287 207 L HA 0.532 4.871 4.340 -0.001 0.000 0.287 207 L C 0.170 176.995 176.870 -0.076 0.000 1.022 207 L CA -0.151 54.659 54.840 -0.049 0.000 0.814 207 L CB 1.461 43.494 42.059 -0.043 0.000 1.217 207 L HN 0.688 nan 8.230 nan 0.000 0.420 208 E N 5.682 125.830 120.200 -0.087 0.000 2.133 208 E HA 0.391 4.740 4.350 -0.001 0.000 0.274 208 E C -2.488 174.014 176.600 -0.164 0.000 0.930 208 E CA -2.017 54.312 56.400 -0.118 0.000 0.770 208 E CB 1.771 31.416 29.700 -0.092 0.000 1.104 208 E HN 0.246 nan 8.360 nan 0.000 0.403 209 P HA -0.024 nan 4.420 nan 0.000 0.268 209 P C -0.990 176.196 177.300 -0.189 0.000 1.205 209 P CA -0.156 62.702 63.100 -0.404 0.000 0.771 209 P CB 0.767 31.766 31.700 -1.169 0.000 0.858 210 V N -0.625 119.257 119.914 -0.053 0.000 3.001 210 V HA 0.484 4.604 4.120 -0.001 0.000 0.314 210 V C -0.181 175.999 176.094 0.143 0.000 1.099 210 V CA -0.978 61.358 62.300 0.060 0.000 0.989 210 V CB 2.211 34.102 31.823 0.114 0.000 1.040 210 V HN 0.250 nan 8.190 nan 0.000 0.434 211 E N 2.132 122.432 120.200 0.167 0.000 2.029 211 E HA 0.642 4.992 4.350 -0.001 0.000 0.276 211 E C 0.043 176.724 176.600 0.135 0.000 1.163 211 E CA 0.446 56.931 56.400 0.141 0.000 0.909 211 E CB 1.022 30.791 29.700 0.114 0.000 1.046 211 E HN 1.145 nan 8.360 nan 0.000 0.406 212 A N 1.906 124.770 122.820 0.073 0.000 2.490 212 A HA 0.518 4.838 4.320 -0.001 0.000 0.292 212 A C -1.063 176.506 177.584 -0.024 0.000 1.047 212 A CA -0.603 51.426 52.037 -0.014 0.000 0.632 212 A CB 0.909 19.880 19.000 -0.047 0.000 1.323 212 A HN 0.292 nan 8.150 nan 0.000 0.448 213 V N -1.925 117.946 119.914 -0.071 0.000 2.962 213 V HA 0.940 5.060 4.120 -0.001 0.000 0.313 213 V C -0.701 175.351 176.094 -0.070 0.000 1.099 213 V CA -0.844 61.425 62.300 -0.053 0.000 0.971 213 V CB 1.437 33.225 31.823 -0.057 0.000 1.028 213 V HN 1.172 nan 8.190 nan 0.000 0.430 214 V N 2.027 121.910 119.914 -0.052 0.000 2.555 214 V HA 0.407 4.526 4.120 -0.001 0.000 0.302 214 V C -0.036 176.025 176.094 -0.055 0.000 1.038 214 V CA -0.411 61.856 62.300 -0.056 0.000 0.887 214 V CB 1.626 33.426 31.823 -0.038 0.000 0.991 214 V HN 1.115 nan 8.190 nan 0.000 0.434 215 D N 3.337 123.705 120.400 -0.054 0.000 2.487 215 D HA -0.018 4.622 4.640 -0.001 0.000 0.243 215 D C 0.982 177.250 176.300 -0.053 0.000 1.154 215 D CA -0.178 53.792 54.000 -0.050 0.000 0.876 215 D CB 1.327 42.103 40.800 -0.041 0.000 1.161 215 D HN 0.723 nan 8.370 nan 0.000 0.478 216 K N 3.408 123.771 120.400 -0.062 0.000 2.148 216 K HA -0.132 4.187 4.320 -0.001 0.000 0.204 216 K C 1.042 177.598 176.600 -0.073 0.000 1.050 216 K CA 1.187 57.427 56.287 -0.078 0.000 0.942 216 K CB 0.206 32.651 32.500 -0.093 0.000 0.724 216 K HN 0.270 nan 8.250 nan 0.000 0.446 217 D N 0.902 121.264 120.400 -0.063 0.000 2.137 217 D HA -0.037 4.603 4.640 -0.001 0.000 0.202 217 D C 2.020 178.291 176.300 -0.048 0.000 0.970 217 D CA 1.078 55.040 54.000 -0.064 0.000 0.837 217 D CB -0.044 40.720 40.800 -0.061 0.000 0.981 217 D HN 0.190 nan 8.370 nan 0.000 0.475 218 L N 1.005 122.208 121.223 -0.034 0.000 2.046 218 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 218 L C 2.630 179.490 176.870 -0.016 0.000 1.077 218 L CA 1.060 55.890 54.840 -0.017 0.000 0.747 218 L CB -0.418 41.632 42.059 -0.014 0.000 0.896 218 L HN -0.034 nan 8.230 nan 0.000 0.432 219 A N -0.749 122.053 122.820 -0.030 0.000 1.930 219 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 219 A C 2.502 180.066 177.584 -0.033 0.000 1.175 219 A CA 1.924 53.944 52.037 -0.029 0.000 0.627 219 A CB -0.503 18.472 19.000 -0.041 0.000 0.815 219 A HN 0.358 nan 8.150 nan 0.000 0.443 220 S N -0.499 115.169 115.700 -0.053 0.000 2.383 220 S HA -0.129 4.341 4.470 -0.001 0.000 0.227 220 S C 2.305 176.870 174.600 -0.058 0.000 1.026 220 S CA 1.381 59.540 58.200 -0.069 0.000 0.981 220 S CB -0.308 62.833 63.200 -0.098 0.000 0.818 220 S HN 0.682 nan 8.310 nan 0.000 0.472 221 S N 1.203 116.882 115.700 -0.036 0.000 2.368 221 S HA -0.067 4.403 4.470 -0.001 0.000 0.225 221 S C 1.851 176.508 174.600 0.094 0.000 1.030 221 S CA 0.987 59.199 58.200 0.019 0.000 0.999 221 S CB -0.409 62.822 63.200 0.051 0.000 0.844 221 S HN 0.371 nan 8.310 nan 0.000 0.459 222 L N 1.442 122.697 121.223 0.055 0.000 2.017 222 L HA 0.074 4.414 4.340 -0.001 0.000 0.208 222 L C 2.131 179.037 176.870 0.060 0.000 1.073 222 L CA 1.725 56.600 54.840 0.059 0.000 0.745 222 L CB -0.967 41.111 42.059 0.031 0.000 0.894 222 L HN 0.434 nan 8.230 nan 0.000 0.432 223 L N 0.154 121.395 121.223 0.031 0.000 2.042 223 L HA -0.115 4.224 4.340 -0.001 0.000 0.210 223 L C 2.521 179.422 176.870 0.052 0.000 1.076 223 L CA 2.156 57.011 54.840 0.025 0.000 0.749 223 L CB -1.184 40.872 42.059 -0.006 0.000 0.893 223 L HN 0.309 nan 8.230 nan 0.000 0.432 224 A N -1.155 121.698 122.820 0.055 0.000 1.908 224 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 224 A C 2.387 180.146 177.584 0.291 0.000 1.181 224 A CA 2.548 54.646 52.037 0.103 0.000 0.627 224 A CB -1.394 17.537 19.000 -0.114 0.000 0.818 224 A HN 0.652 nan 8.150 nan 0.000 0.445 225 T N -2.438 112.291 114.554 0.292 0.000 2.777 225 T HA -0.167 4.183 4.350 -0.001 0.000 0.266 225 T C 1.849 176.611 174.700 0.104 0.000 1.040 225 T CA 1.470 63.686 62.100 0.193 0.000 1.141 225 T CB -0.446 68.490 68.868 0.114 0.000 0.868 225 T HN 0.588 nan 8.240 nan 0.000 0.444 226 Q N 0.484 120.334 119.800 0.084 0.000 2.230 226 Q HA 0.205 4.544 4.340 -0.001 0.000 0.202 226 Q C 2.145 178.177 176.000 0.055 0.000 0.963 226 Q CA 0.764 56.599 55.803 0.054 0.000 0.866 226 Q CB -0.228 28.535 28.738 0.041 0.000 0.931 226 Q HN 0.520 nan 8.270 nan 0.000 0.452 227 L N 0.147 121.412 121.223 0.071 0.000 2.591 227 L HA 0.058 4.398 4.340 -0.001 0.000 0.228 227 L C -0.239 176.680 176.870 0.081 0.000 1.133 227 L CA 0.007 54.886 54.840 0.066 0.000 0.880 227 L CB -0.284 41.812 42.059 0.062 0.000 1.033 227 L HN 0.309 nan 8.230 nan 0.000 0.450 228 N N 0.081 118.839 118.700 0.097 0.000 2.727 228 N HA -0.183 4.556 4.740 -0.001 0.000 0.249 228 N C 0.308 175.905 175.510 0.144 0.000 1.048 228 N CA 0.211 53.321 53.050 0.099 0.000 0.714 228 N CB -0.615 37.908 38.487 0.059 0.000 0.959 228 N HN 0.449 nan 8.380 nan 0.000 0.544 229 A N 0.012 122.955 122.820 0.206 0.000 2.466 229 A HA 0.065 4.384 4.320 -0.001 0.000 0.238 229 A C 1.104 178.872 177.584 0.307 0.000 1.074 229 A CA 0.165 52.331 52.037 0.214 0.000 0.774 229 A CB 0.360 19.447 19.000 0.144 0.000 1.015 229 A HN 0.321 nan 8.150 nan 0.000 0.498 230 D N -0.802 119.762 120.400 0.274 0.000 2.323 230 D HA 0.147 4.786 4.640 -0.001 0.000 0.209 230 D C -0.221 176.293 176.300 0.357 0.000 0.973 230 D CA 0.981 55.163 54.000 0.303 0.000 0.874 230 D CB 0.206 41.177 40.800 0.285 0.000 0.930 230 D HN 0.289 nan 8.370 nan 0.000 0.521 231 L N 0.483 121.843 121.223 0.229 0.000 2.591 231 L HA 0.330 4.669 4.340 -0.001 0.000 0.257 231 L C -2.181 174.434 176.870 -0.424 0.000 0.935 231 L CA -0.910 53.926 54.840 -0.007 0.000 0.873 231 L CB 2.219 44.254 42.059 -0.039 0.000 1.397 231 L HN -0.248 nan 8.230 nan 0.000 0.414 232 L N 5.302 126.072 121.223 -0.754 0.000 2.287 232 L HA 0.828 5.168 4.340 -0.001 0.000 0.287 232 L C -1.395 175.216 176.870 -0.431 0.000 1.022 232 L CA -0.254 54.114 54.840 -0.787 0.000 0.814 232 L CB 1.677 43.023 42.059 -1.188 0.000 1.217 232 L HN 0.392 nan 8.230 nan 0.000 0.420 233 V N 6.824 126.529 119.914 -0.349 0.000 2.448 233 V HA 0.490 4.609 4.120 -0.001 0.000 0.295 233 V C -0.067 175.895 176.094 -0.220 0.000 1.025 233 V CA -0.424 61.712 62.300 -0.274 0.000 0.859 233 V CB 1.677 33.317 31.823 -0.305 0.000 0.988 233 V HN 0.615 nan 8.190 nan 0.000 0.431 234 I N 5.983 126.442 120.570 -0.184 0.000 2.354 234 I HA 0.418 4.588 4.170 -0.001 0.000 0.286 234 I C -0.629 175.401 176.117 -0.145 0.000 1.007 234 I CA -0.308 60.900 61.300 -0.153 0.000 1.167 234 I CB 1.391 39.310 38.000 -0.136 0.000 1.320 234 I HN 0.348 nan 8.210 nan 0.000 0.458 235 L N 6.153 127.294 121.223 -0.136 0.000 2.282 235 L HA 0.559 4.899 4.340 -0.001 0.000 0.288 235 L C 0.264 177.065 176.870 -0.115 0.000 1.033 235 L CA -0.006 54.755 54.840 -0.131 0.000 0.807 235 L CB 1.702 43.685 42.059 -0.127 0.000 1.209 235 L HN 0.577 nan 8.230 nan 0.000 0.423 236 T N -0.947 113.533 114.554 -0.122 0.000 2.591 236 T HA 0.225 4.575 4.350 -0.001 0.000 0.274 236 T C 0.150 174.781 174.700 -0.115 0.000 0.945 236 T CA -0.351 61.684 62.100 -0.107 0.000 1.087 236 T CB 1.349 70.156 68.868 -0.102 0.000 1.416 236 T HN 0.585 nan 8.240 nan 0.000 0.514 237 D N 0.501 120.840 120.400 -0.101 0.000 2.271 237 D HA 0.114 4.753 4.640 -0.001 0.000 0.206 237 D C 1.042 177.253 176.300 -0.147 0.000 0.967 237 D CA 0.776 54.714 54.000 -0.102 0.000 0.867 237 D CB 0.013 40.775 40.800 -0.064 0.000 0.960 237 D HN 0.444 nan 8.370 nan 0.000 0.509 238 V N -0.923 118.889 119.914 -0.170 0.000 2.785 238 V HA 0.258 4.378 4.120 -0.001 0.000 0.300 238 V C -1.921 173.890 176.094 -0.472 0.000 1.062 238 V CA -1.515 60.608 62.300 -0.294 0.000 1.029 238 V CB 1.307 33.027 31.823 -0.171 0.000 1.024 238 V HN -0.267 nan 8.190 nan 0.000 0.477 239 P HA 0.204 nan 4.420 nan 0.000 0.222 239 P C 0.661 177.612 177.300 -0.581 0.000 1.147 239 P CA 1.626 64.231 63.100 -0.824 0.000 0.790 239 P CB 0.027 30.922 31.700 -1.341 0.000 0.780 240 G N -2.637 105.812 108.800 -0.584 0.000 2.325 240 G HA2 0.248 4.208 3.960 -0.001 0.000 0.295 240 G HA3 0.248 4.208 3.960 -0.001 0.000 0.295 240 G C -1.666 173.217 174.900 -0.029 0.000 1.274 240 G CA -0.580 44.394 45.100 -0.211 0.000 0.857 240 G HN -0.224 nan 8.290 nan 0.000 0.499 241 V N 0.974 120.907 119.914 0.032 0.000 2.530 241 V HA 0.573 4.693 4.120 -0.001 0.000 0.282 241 V C 0.837 177.041 176.094 0.183 0.000 1.048 241 V CA 0.310 62.633 62.300 0.040 0.000 0.997 241 V CB 0.808 32.543 31.823 -0.147 0.000 0.987 241 V HN 1.360 nan 8.190 nan 0.000 0.477 242 A N 4.253 127.198 122.820 0.209 0.000 2.304 242 A HA 0.709 5.029 4.320 -0.001 0.000 0.323 242 A C 0.380 177.994 177.584 0.049 0.000 1.195 242 A CA -0.072 51.949 52.037 -0.027 0.000 0.826 242 A CB 1.687 20.512 19.000 -0.291 0.000 1.184 242 A HN 1.328 nan 8.150 nan 0.000 0.496 243 V N -0.559 119.285 119.914 -0.116 0.000 3.485 243 V HA 0.301 4.421 4.120 -0.001 0.000 0.280 243 V C 0.165 176.282 176.094 0.039 0.000 1.495 243 V CA 0.609 62.878 62.300 -0.050 0.000 1.018 243 V CB -0.666 30.832 31.823 -0.542 0.000 0.818 243 V HN 0.688 nan 8.190 nan 0.000 0.436 244 N N 0.145 118.752 118.700 -0.156 0.000 2.479 244 N HA 0.431 5.171 4.740 -0.001 0.000 0.261 244 N C -0.717 174.643 175.510 -0.249 0.000 0.979 244 N CA -0.581 52.418 53.050 -0.086 0.000 0.930 244 N CB 1.330 39.747 38.487 -0.117 0.000 1.172 244 N HN 0.254 nan 8.380 nan 0.000 0.499 245 Y N 1.110 121.359 120.300 -0.083 0.000 2.607 245 Y HA 0.432 4.982 4.550 -0.001 0.000 0.266 245 Y C 1.440 177.290 175.900 -0.084 0.000 1.178 245 Y CA -0.498 57.543 58.100 -0.099 0.000 1.226 245 Y CB 0.479 38.903 38.460 -0.061 0.000 1.144 245 Y HN 0.540 nan 8.280 nan 0.000 0.528 246 G N -0.108 108.715 108.800 0.038 0.000 2.537 246 G HA2 0.187 4.147 3.960 -0.001 0.000 0.273 246 G HA3 0.187 4.147 3.960 -0.001 0.000 0.273 246 G C 0.711 175.590 174.900 -0.035 0.000 1.189 246 G CA -0.572 44.534 45.100 0.010 0.000 0.881 246 G HN 0.274 nan 8.290 nan 0.000 0.535 247 R N -0.443 120.041 120.500 -0.026 0.000 2.120 247 R HA -0.019 4.321 4.340 -0.001 0.000 0.234 247 R C 0.471 176.740 176.300 -0.051 0.000 1.123 247 R CA 0.837 56.914 56.100 -0.039 0.000 0.975 247 R CB 0.029 30.315 30.300 -0.023 0.000 0.866 247 R HN 0.477 nan 8.270 nan 0.000 0.446 248 E N -0.108 120.068 120.200 -0.041 0.000 2.250 248 E HA 0.407 4.756 4.350 -0.001 0.000 0.265 248 E C 0.489 177.055 176.600 -0.057 0.000 1.033 248 E CA 0.140 56.516 56.400 -0.042 0.000 0.888 248 E CB 1.122 30.807 29.700 -0.024 0.000 1.151 248 E HN 0.275 nan 8.360 nan 0.000 0.412 249 G N 1.075 109.844 108.800 -0.052 0.000 2.757 249 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.638 249 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.638 249 G C -0.364 174.481 174.900 -0.092 0.000 1.344 249 G CA -0.151 44.913 45.100 -0.060 0.000 0.855 249 G HN 0.658 nan 8.290 nan 0.000 0.537 250 E N 0.411 120.558 120.200 -0.089 0.000 2.383 250 E HA 0.419 4.769 4.350 -0.001 0.000 0.264 250 E C 1.188 177.651 176.600 -0.228 0.000 1.050 250 E CA -0.561 55.775 56.400 -0.107 0.000 0.896 250 E CB 0.918 30.587 29.700 -0.053 0.000 0.982 250 E HN 0.467 nan 8.360 nan 0.000 0.424 251 R N 2.001 122.305 120.500 -0.328 0.000 2.062 251 R HA 0.057 4.397 4.340 -0.001 0.000 0.226 251 R C 0.064 175.811 176.300 -0.920 0.000 1.125 251 R CA 1.069 56.702 56.100 -0.780 0.000 0.966 251 R CB 0.071 29.677 30.300 -1.157 0.000 0.861 251 R HN 0.666 nan 8.270 nan 0.000 0.433 252 W N 0.968 122.201 121.300 -0.112 0.000 2.883 252 W HA 0.388 5.047 4.660 -0.000 0.000 0.335 252 W C -0.466 176.003 176.519 -0.083 0.000 1.083 252 W CA -1.080 56.197 57.345 -0.112 0.000 1.233 252 W CB 0.755 30.155 29.460 -0.099 0.000 1.412 252 W HN -0.125 nan 8.180 nan 0.000 0.490 253 L N 3.981 125.270 121.223 0.109 0.000 2.540 253 L HA 0.006 4.345 4.340 -0.001 0.000 0.276 253 L C 1.675 178.588 176.870 0.071 0.000 1.212 253 L CA 0.042 54.916 54.840 0.058 0.000 0.893 253 L CB 0.410 42.485 42.059 0.028 0.000 1.138 253 L HN 0.337 nan 8.230 nan 0.000 0.491 254 R N 2.761 123.294 120.500 0.055 0.000 2.140 254 R HA 0.116 4.456 4.340 -0.001 0.000 0.213 254 R C 0.260 176.578 176.300 0.031 0.000 1.059 254 R CA 0.701 56.827 56.100 0.044 0.000 1.000 254 R CB -0.078 30.246 30.300 0.041 0.000 0.910 254 R HN 0.733 nan 8.270 nan 0.000 0.455 255 R N -1.703 118.818 120.500 0.036 0.000 2.664 255 R HA 0.712 5.052 4.340 -0.001 0.000 0.266 255 R C -1.811 174.517 176.300 0.048 0.000 1.046 255 R CA -0.726 55.396 56.100 0.036 0.000 0.885 255 R CB 1.413 31.733 30.300 0.033 0.000 1.254 255 R HN -0.039 nan 8.270 nan 0.000 0.465 256 A N 1.256 124.108 122.820 0.053 0.000 2.540 256 A HA 0.776 5.096 4.320 -0.001 0.000 0.297 256 A C -0.984 176.640 177.584 0.067 0.000 1.056 256 A CA -0.397 51.684 52.037 0.074 0.000 0.700 256 A CB 1.730 20.793 19.000 0.104 0.000 1.280 256 A HN 1.091 nan 8.150 nan 0.000 0.398 257 A N 0.996 123.855 122.820 0.065 0.000 2.445 257 A HA 0.574 4.893 4.320 -0.001 0.000 0.242 257 A C 1.547 179.169 177.584 0.062 0.000 1.075 257 A CA 0.446 52.515 52.037 0.052 0.000 0.777 257 A CB -0.042 18.981 19.000 0.039 0.000 1.013 257 A HN 2.347 nan 8.150 nan 0.000 0.493 258 A N 1.784 124.635 122.820 0.052 0.000 1.903 258 A HA -0.182 4.138 4.320 -0.001 0.000 0.219 258 A C 2.466 180.086 177.584 0.061 0.000 1.191 258 A CA 2.836 54.907 52.037 0.056 0.000 0.638 258 A CB -1.338 17.687 19.000 0.041 0.000 0.823 258 A HN 1.776 nan 8.150 nan 0.000 0.451 259 S N 0.064 115.789 115.700 0.042 0.000 2.400 259 S HA -0.221 4.249 4.470 -0.001 0.000 0.232 259 S C 1.618 176.234 174.600 0.027 0.000 1.025 259 S CA 1.470 59.688 58.200 0.029 0.000 0.993 259 S CB -0.560 62.647 63.200 0.011 0.000 0.808 259 S HN 0.724 nan 8.310 nan 0.000 0.478 260 E N 1.506 121.733 120.200 0.045 0.000 2.047 260 E HA -0.002 4.347 4.350 -0.001 0.000 0.191 260 E C 2.168 178.855 176.600 0.146 0.000 0.987 260 E CA 1.207 57.634 56.400 0.044 0.000 0.799 260 E CB -0.409 29.348 29.700 0.094 0.000 0.752 260 E HN 0.479 nan 8.360 nan 0.000 0.449 261 L N 1.159 122.519 121.223 0.229 0.000 2.056 261 L HA -0.173 4.167 4.340 -0.001 0.000 0.207 261 L C 2.701 179.767 176.870 0.326 0.000 1.078 261 L CA 1.134 56.192 54.840 0.363 0.000 0.749 261 L CB -0.370 41.821 42.059 0.219 0.000 0.901 261 L HN 0.082 nan 8.230 nan 0.000 0.433 262 K N 0.759 121.265 120.400 0.177 0.000 2.103 262 K HA -0.267 4.053 4.320 -0.001 0.000 0.207 262 K C 2.221 178.880 176.600 0.098 0.000 1.048 262 K CA 1.629 57.996 56.287 0.134 0.000 0.930 262 K CB 0.016 32.562 32.500 0.076 0.000 0.716 262 K HN 0.123 nan 8.250 nan 0.000 0.444 263 K N -0.536 119.879 120.400 0.024 0.000 2.057 263 K HA -0.170 4.150 4.320 -0.001 0.000 0.206 263 K C 1.959 178.507 176.600 -0.087 0.000 1.050 263 K CA 1.453 57.694 56.287 -0.078 0.000 0.935 263 K CB -0.165 32.213 32.500 -0.204 0.000 0.715 263 K HN 0.124 nan 8.250 nan 0.000 0.439 264 Y N 0.846 121.123 120.300 -0.039 0.000 2.181 264 Y HA -0.218 4.331 4.550 -0.001 0.000 0.288 264 Y C 2.097 177.877 175.900 -0.201 0.000 1.146 264 Y CA 1.102 59.060 58.100 -0.237 0.000 1.164 264 Y CB -0.461 37.825 38.460 -0.290 0.000 0.982 264 Y HN 0.101 nan 8.280 nan 0.000 0.515 265 L N 0.505 121.847 121.223 0.198 0.000 2.017 265 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 265 L C 2.127 179.064 176.870 0.112 0.000 1.073 265 L CA 1.807 56.782 54.840 0.226 0.000 0.745 265 L CB -0.456 41.813 42.059 0.349 0.000 0.894 265 L HN 0.048 nan 8.230 nan 0.000 0.432 266 R N -0.549 120.004 120.500 0.089 0.000 2.328 266 R HA -0.074 4.266 4.340 -0.001 0.000 0.207 266 R C 1.655 177.980 176.300 0.042 0.000 1.056 266 R CA 0.944 57.077 56.100 0.054 0.000 1.016 266 R CB -0.141 30.180 30.300 0.035 0.000 0.872 266 R HN 0.567 nan 8.270 nan 0.000 0.471 267 E N -0.864 119.375 120.200 0.065 0.000 2.415 267 E HA 0.080 4.430 4.350 -0.001 0.000 0.197 267 E C 0.752 177.372 176.600 0.034 0.000 1.007 267 E CA 0.406 56.857 56.400 0.085 0.000 0.890 267 E CB 0.856 30.678 29.700 0.204 0.000 0.891 267 E HN 0.445 nan 8.360 nan 0.000 0.496 268 G N 1.121 109.928 108.800 0.012 0.000 2.138 268 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.193 268 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.193 268 G C 0.310 175.111 174.900 -0.166 0.000 0.998 268 G CA 0.180 45.242 45.100 -0.063 0.000 0.668 268 G HN 0.309 nan 8.290 nan 0.000 0.516 269 H N -0.892 117.976 119.070 -0.337 0.000 2.524 269 H HA 0.286 4.841 4.556 -0.001 0.000 0.282 269 H C 0.390 175.430 175.328 -0.481 0.000 1.016 269 H CA 1.399 57.141 56.048 -0.510 0.000 1.270 269 H CB 0.064 29.338 29.762 -0.812 0.000 1.394 269 H HN 0.415 nan 8.280 nan 0.000 0.568 270 F N 0.526 120.577 119.950 0.169 0.000 2.434 270 F HA 0.356 4.883 4.527 -0.001 0.000 0.355 270 F C -2.330 173.510 175.800 0.066 0.000 1.115 270 F CA -4.164 53.902 58.000 0.110 0.000 1.010 270 F CB 0.834 39.897 39.000 0.105 0.000 1.234 270 F HN -0.233 nan 8.300 nan 0.000 0.439 271 P HA 0.001 nan 4.420 nan 0.000 0.262 271 P C -1.643 175.719 177.300 0.103 0.000 1.182 271 P CA -0.771 62.392 63.100 0.106 0.000 0.761 271 P CB 0.449 32.195 31.700 0.076 0.000 0.795 272 P HA -0.124 nan 4.420 nan 0.000 0.225 272 P C 1.175 178.496 177.300 0.034 0.000 1.148 272 P CA 1.450 64.582 63.100 0.054 0.000 0.779 272 P CB -0.118 31.604 31.700 0.036 0.000 0.780 273 G N -0.585 108.234 108.800 0.031 0.000 2.880 273 G HA2 0.039 3.999 3.960 -0.001 0.000 0.209 273 G HA3 0.039 3.999 3.960 -0.001 0.000 0.209 273 G C 1.127 176.038 174.900 0.018 0.000 1.157 273 G CA 0.834 45.944 45.100 0.017 0.000 0.779 273 G HN 0.491 nan 8.290 nan 0.000 0.539 274 S N -0.806 114.915 115.700 0.036 0.000 4.406 274 S HA 0.219 4.688 4.470 -0.001 0.000 0.160 274 S C 1.665 176.283 174.600 0.030 0.000 0.981 274 S CA 0.504 58.722 58.200 0.031 0.000 1.170 274 S CB -0.083 63.144 63.200 0.045 0.000 1.909 274 S HN -0.034 nan 8.310 nan 0.000 0.836 275 M N 3.391 123.028 119.600 0.061 0.000 2.394 275 M HA 0.315 4.794 4.480 -0.001 0.000 0.264 275 M C 1.804 178.114 176.300 0.016 0.000 1.073 275 M CA 1.543 56.853 55.300 0.018 0.000 1.111 275 M CB -1.294 31.332 32.600 0.044 0.000 1.401 275 M HN 0.633 nan 8.290 nan 0.000 0.448 276 G N 0.747 109.624 108.800 0.127 0.000 2.586 276 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.218 276 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.218 276 G C -0.897 174.043 174.900 0.066 0.000 1.216 276 G CA 0.936 46.130 45.100 0.157 0.000 0.786 276 G HN 0.389 nan 8.290 nan 0.000 0.583 277 P HA -0.030 nan 4.420 nan 0.000 0.216 277 P C 1.745 179.033 177.300 -0.020 0.000 1.150 277 P CA 1.483 64.586 63.100 0.005 0.000 0.837 277 P CB -0.017 31.679 31.700 -0.006 0.000 0.786 278 K N -0.741 119.632 120.400 -0.046 0.000 2.057 278 K HA -0.061 4.258 4.320 -0.001 0.000 0.206 278 K C 1.969 178.514 176.600 -0.092 0.000 1.050 278 K CA 1.169 57.410 56.287 -0.077 0.000 0.935 278 K CB -0.929 31.512 32.500 -0.099 0.000 0.715 278 K HN 0.016 nan 8.250 nan 0.000 0.439 279 V N 2.161 121.997 119.914 -0.129 0.000 2.358 279 V HA -0.224 3.896 4.120 -0.001 0.000 0.246 279 V C 2.008 178.086 176.094 -0.026 0.000 1.047 279 V CA 1.757 63.970 62.300 -0.145 0.000 1.035 279 V CB -0.434 31.216 31.823 -0.288 0.000 0.658 279 V HN 0.328 nan 8.190 nan 0.000 0.452 280 E N 0.449 120.656 120.200 0.012 0.000 2.077 280 E HA -0.209 4.141 4.350 -0.001 0.000 0.193 280 E C 2.325 178.943 176.600 0.030 0.000 0.989 280 E CA 1.349 57.772 56.400 0.039 0.000 0.800 280 E CB -0.354 29.372 29.700 0.044 0.000 0.746 280 E HN 0.604 nan 8.360 nan 0.000 0.452 281 A N 1.580 124.407 122.820 0.011 0.000 1.902 281 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 281 A C 2.405 180.015 177.584 0.044 0.000 1.181 281 A CA 1.678 53.726 52.037 0.017 0.000 0.623 281 A CB -0.612 18.377 19.000 -0.017 0.000 0.818 281 A HN 0.291 nan 8.150 nan 0.000 0.443 282 A N -0.014 122.817 122.820 0.018 0.000 1.873 282 A HA -0.061 4.259 4.320 -0.001 0.000 0.215 282 A C 2.123 179.768 177.584 0.101 0.000 1.186 282 A CA 1.459 53.525 52.037 0.048 0.000 0.616 282 A CB -0.616 18.380 19.000 -0.007 0.000 0.823 282 A HN 0.488 nan 8.150 nan 0.000 0.442 283 I N -0.224 120.386 120.570 0.066 0.000 2.163 283 I HA -0.265 3.905 4.170 -0.001 0.000 0.243 283 I C 2.738 178.897 176.117 0.070 0.000 1.085 283 I CA 1.584 62.924 61.300 0.067 0.000 1.347 283 I CB -0.393 37.644 38.000 0.061 0.000 1.044 283 I HN 0.241 nan 8.210 nan 0.000 0.408 284 S N 0.600 116.346 115.700 0.076 0.000 2.359 284 S HA -0.224 4.246 4.470 -0.001 0.000 0.224 284 S C 1.879 176.529 174.600 0.085 0.000 1.035 284 S CA 1.579 59.821 58.200 0.069 0.000 1.018 284 S CB -0.495 62.747 63.200 0.069 0.000 0.876 284 S HN 0.414 nan 8.310 nan 0.000 0.448 285 F N 2.386 122.333 119.950 -0.005 0.000 2.102 285 F HA -0.132 4.395 4.527 -0.001 0.000 0.298 285 F C 2.137 177.937 175.800 0.001 0.000 1.105 285 F CA 1.076 59.073 58.000 -0.005 0.000 1.239 285 F CB -0.579 38.414 39.000 -0.012 0.000 0.991 285 F HN -0.033 nan 8.300 nan 0.000 0.474 286 V N 0.579 120.497 119.914 0.007 0.000 2.343 286 V HA -0.286 3.834 4.120 -0.001 0.000 0.247 286 V C 2.244 178.268 176.094 -0.116 0.000 1.051 286 V CA 2.328 64.582 62.300 -0.076 0.000 1.036 286 V CB -0.739 31.109 31.823 0.042 0.000 0.654 286 V HN 0.360 nan 8.190 nan 0.000 0.451 287 E N -0.300 119.863 120.200 -0.063 0.000 2.106 287 E HA -0.163 4.187 4.350 -0.001 0.000 0.192 287 E C 2.484 179.032 176.600 -0.086 0.000 0.984 287 E CA 0.799 57.167 56.400 -0.054 0.000 0.806 287 E CB -0.128 29.561 29.700 -0.018 0.000 0.750 287 E HN 0.441 nan 8.360 nan 0.000 0.458 288 R N 0.083 120.513 120.500 -0.117 0.000 2.093 288 R HA -0.027 4.312 4.340 -0.001 0.000 0.224 288 R C 2.391 178.580 176.300 -0.185 0.000 1.101 288 R CA 1.698 57.724 56.100 -0.123 0.000 0.979 288 R CB -0.422 29.822 30.300 -0.092 0.000 0.877 288 R HN 0.314 nan 8.270 nan 0.000 0.441 289 T N -4.524 109.829 114.554 -0.335 0.000 2.969 289 T HA 0.216 4.565 4.350 -0.001 0.000 0.250 289 T C 1.402 175.945 174.700 -0.261 0.000 1.021 289 T CA 0.781 62.668 62.100 -0.355 0.000 1.003 289 T CB 0.764 69.240 68.868 -0.654 0.000 1.040 289 T HN 0.328 nan 8.240 nan 0.000 0.492 290 G N 1.692 110.349 108.800 -0.239 0.000 2.179 290 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.260 290 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.260 290 G C -0.002 174.836 174.900 -0.103 0.000 0.977 290 G CA 0.410 45.432 45.100 -0.130 0.000 0.641 290 G HN 0.709 nan 8.290 nan 0.000 0.533 291 K N 1.397 121.693 120.400 -0.173 0.000 2.087 291 K HA 0.522 4.842 4.320 -0.001 0.000 0.255 291 K C -2.232 174.441 176.600 0.122 0.000 0.988 291 K CA -1.782 54.502 56.287 -0.005 0.000 0.915 291 K CB 1.541 34.084 32.500 0.071 0.000 1.043 291 K HN 0.080 nan 8.250 nan 0.000 0.457 292 P HA 0.105 nan 4.420 nan 0.000 0.274 292 P C -1.410 176.060 177.300 0.283 0.000 1.231 292 P CA -0.294 62.924 63.100 0.197 0.000 0.790 292 P CB 1.172 32.949 31.700 0.128 0.000 0.951 293 A N 2.002 124.935 122.820 0.189 0.000 2.401 293 A HA 0.679 4.999 4.320 -0.001 0.000 0.310 293 A C -1.179 176.403 177.584 -0.005 0.000 1.075 293 A CA -0.813 51.269 52.037 0.075 0.000 0.746 293 A CB 1.902 20.983 19.000 0.135 0.000 1.277 293 A HN 0.428 nan 8.150 nan 0.000 0.425 294 V N 2.812 122.679 119.914 -0.080 0.000 2.760 294 V HA 0.662 4.781 4.120 -0.001 0.000 0.309 294 V C -1.474 174.550 176.094 -0.117 0.000 1.077 294 V CA -0.608 61.642 62.300 -0.084 0.000 0.910 294 V CB 1.683 33.453 31.823 -0.089 0.000 1.008 294 V HN 0.749 nan 8.190 nan 0.000 0.424 295 I N 6.601 127.106 120.570 -0.110 0.000 2.382 295 I HA 0.799 4.968 4.170 -0.001 0.000 0.286 295 I C 0.562 176.595 176.117 -0.139 0.000 1.002 295 I CA 0.006 61.229 61.300 -0.129 0.000 1.135 295 I CB 1.483 39.403 38.000 -0.133 0.000 1.288 295 I HN 0.819 nan 8.210 nan 0.000 0.448 296 G N 3.371 112.078 108.800 -0.155 0.000 2.870 296 G HA2 0.542 4.501 3.960 -0.001 0.000 0.299 296 G HA3 0.542 4.501 3.960 -0.001 0.000 0.299 296 G C -1.157 173.631 174.900 -0.187 0.000 1.324 296 G CA -0.491 44.502 45.100 -0.177 0.000 0.808 296 G HN 0.512 nan 8.290 nan 0.000 0.535 297 S N -0.611 114.969 115.700 -0.200 0.000 2.554 297 S HA 0.356 4.826 4.470 -0.001 0.000 0.278 297 S C 1.326 175.838 174.600 -0.147 0.000 1.242 297 S CA -0.379 57.709 58.200 -0.185 0.000 1.051 297 S CB 1.615 64.686 63.200 -0.215 0.000 0.986 297 S HN 1.099 nan 8.310 nan 0.000 0.502 298 L N 2.005 123.151 121.223 -0.128 0.000 2.042 298 L HA -0.063 4.277 4.340 -0.001 0.000 0.210 298 L C 2.320 179.129 176.870 -0.100 0.000 1.076 298 L CA 1.972 56.746 54.840 -0.110 0.000 0.749 298 L CB -1.039 40.962 42.059 -0.096 0.000 0.893 298 L HN 0.799 nan 8.230 nan 0.000 0.432 299 E N 0.381 120.520 120.200 -0.100 0.000 2.085 299 E HA -0.229 4.121 4.350 -0.001 0.000 0.194 299 E C 1.798 178.348 176.600 -0.085 0.000 0.994 299 E CA 1.684 58.032 56.400 -0.086 0.000 0.801 299 E CB -0.289 29.358 29.700 -0.088 0.000 0.743 299 E HN 0.703 nan 8.360 nan 0.000 0.453 300 E N 0.208 120.347 120.200 -0.102 0.000 2.403 300 E HA 0.217 4.566 4.350 -0.001 0.000 0.188 300 E C 1.487 178.031 176.600 -0.094 0.000 1.056 300 E CA 0.183 56.527 56.400 -0.093 0.000 0.892 300 E CB 0.303 29.938 29.700 -0.108 0.000 1.049 300 E HN 0.160 nan 8.360 nan 0.000 0.465 301 A N 1.436 124.195 122.820 -0.100 0.000 1.927 301 A HA -0.310 4.010 4.320 -0.001 0.000 0.220 301 A C 2.106 179.628 177.584 -0.104 0.000 1.185 301 A CA 1.691 53.659 52.037 -0.115 0.000 0.639 301 A CB -0.353 18.578 19.000 -0.115 0.000 0.820 301 A HN 0.196 nan 8.150 nan 0.000 0.451 302 R N -1.256 119.204 120.500 -0.067 0.000 2.091 302 R HA -0.157 4.183 4.340 -0.001 0.000 0.238 302 R C 2.366 178.655 176.300 -0.019 0.000 1.136 302 R CA 1.661 57.742 56.100 -0.032 0.000 0.959 302 R CB -0.167 30.126 30.300 -0.012 0.000 0.856 302 R HN 0.559 nan 8.270 nan 0.000 0.437 303 Q N -0.338 119.443 119.800 -0.031 0.000 2.187 303 Q HA -0.062 4.278 4.340 -0.001 0.000 0.199 303 Q C 2.208 178.187 176.000 -0.035 0.000 0.957 303 Q CA 0.965 56.756 55.803 -0.020 0.000 0.857 303 Q CB -0.006 28.715 28.738 -0.028 0.000 0.929 303 Q HN 0.225 nan 8.270 nan 0.000 0.453 304 V N 1.477 121.346 119.914 -0.074 0.000 2.255 304 V HA -0.254 3.866 4.120 -0.001 0.000 0.247 304 V C 2.416 178.440 176.094 -0.116 0.000 1.051 304 V CA 1.332 63.572 62.300 -0.100 0.000 1.018 304 V CB -0.656 31.085 31.823 -0.137 0.000 0.641 304 V HN 0.311 nan 8.190 nan 0.000 0.445 305 L N 1.108 122.227 121.223 -0.173 0.000 2.129 305 L HA -0.165 4.174 4.340 -0.001 0.000 0.212 305 L C 2.490 179.356 176.870 -0.006 0.000 1.087 305 L CA 2.640 57.306 54.840 -0.290 0.000 0.757 305 L CB -1.329 40.446 42.059 -0.474 0.000 0.896 305 L HN 0.689 nan 8.230 nan 0.000 0.434 306 S N -1.679 114.068 115.700 0.079 0.000 2.593 306 S HA 0.067 4.536 4.470 -0.001 0.000 0.217 306 S C 1.221 175.874 174.600 0.088 0.000 0.966 306 S CA -0.243 58.047 58.200 0.149 0.000 0.914 306 S CB 0.041 63.310 63.200 0.115 0.000 0.776 306 S HN 0.422 nan 8.310 nan 0.000 0.523 307 L N -0.531 120.713 121.223 0.036 0.000 4.291 307 L HA -0.236 4.103 4.340 -0.001 0.000 0.413 307 L C 0.755 177.637 176.870 0.020 0.000 1.162 307 L CA 0.878 55.732 54.840 0.024 0.000 0.961 307 L CB -2.185 39.906 42.059 0.052 0.000 2.095 307 L HN 0.494 nan 8.230 nan 0.000 0.838 308 Q N -0.640 119.168 119.800 0.013 0.000 2.219 308 Q HA 0.534 4.874 4.340 -0.001 0.000 0.209 308 Q C 0.617 176.614 176.000 -0.004 0.000 0.854 308 Q CA 0.622 56.431 55.803 0.010 0.000 0.960 308 Q CB 1.227 29.975 28.738 0.016 0.000 1.116 308 Q HN 0.564 nan 8.270 nan 0.000 0.500 309 A N -0.419 122.389 122.820 -0.021 0.000 2.609 309 A HA 0.779 5.098 4.320 -0.001 0.000 0.291 309 A C -0.252 177.296 177.584 -0.060 0.000 1.096 309 A CA -0.135 51.878 52.037 -0.040 0.000 0.684 309 A CB 0.978 19.944 19.000 -0.057 0.000 1.282 309 A HN 0.213 nan 8.150 nan 0.000 0.412 310 G N -0.582 108.171 108.800 -0.079 0.000 2.795 310 G HA2 0.216 4.175 3.960 -0.001 0.000 0.664 310 G HA3 0.216 4.175 3.960 -0.001 0.000 0.664 310 G C -0.204 174.666 174.900 -0.051 0.000 1.381 310 G CA -0.195 44.848 45.100 -0.096 0.000 0.853 310 G HN 1.562 nan 8.290 nan 0.000 0.545 311 T N 0.863 115.384 114.554 -0.054 0.000 2.723 311 T HA 0.465 4.814 4.350 -0.001 0.000 0.297 311 T C 0.626 175.310 174.700 -0.026 0.000 0.925 311 T CA -0.175 61.909 62.100 -0.026 0.000 1.030 311 T CB 1.150 69.998 68.868 -0.034 0.000 0.905 311 T HN 0.884 nan 8.240 nan 0.000 0.502 312 V N 5.496 125.408 119.914 -0.004 0.000 2.385 312 V HA 0.214 4.333 4.120 -0.001 0.000 0.269 312 V C 0.371 176.479 176.094 0.022 0.000 1.043 312 V CA -0.670 61.635 62.300 0.007 0.000 0.906 312 V CB 0.962 32.796 31.823 0.018 0.000 0.995 312 V HN 0.646 nan 8.190 nan 0.000 0.467 313 V N 7.196 127.127 119.914 0.028 0.000 2.432 313 V HA 0.470 4.589 4.120 -0.001 0.000 0.275 313 V C 0.187 176.315 176.094 0.057 0.000 1.043 313 V CA -0.184 62.141 62.300 0.043 0.000 0.925 313 V CB 1.162 33.012 31.823 0.045 0.000 0.985 313 V HN 0.809 nan 8.190 nan 0.000 0.466 314 M N 4.108 123.738 119.600 0.050 0.000 2.662 314 M HA 0.511 4.991 4.480 -0.001 0.000 0.310 314 M C -0.883 175.438 176.300 0.034 0.000 1.204 314 M CA -1.054 54.273 55.300 0.044 0.000 0.891 314 M CB 2.259 34.882 32.600 0.039 0.000 1.732 314 M HN 0.455 nan 8.290 nan 0.000 0.467 315 L N 2.087 123.324 121.223 0.022 0.000 2.477 315 L HA 0.586 4.926 4.340 -0.001 0.000 0.272 315 L C 0.220 177.098 176.870 0.012 0.000 1.157 315 L CA 1.361 56.207 54.840 0.010 0.000 0.889 315 L CB -0.260 41.796 42.059 -0.005 0.000 1.158 315 L HN 0.809 nan 8.230 nan 0.000 0.473 316 G N 0.000 108.808 108.800 0.013 0.000 5.446 316 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 316 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 316 G CA 0.000 45.108 45.100 0.013 0.000 0.502 316 G HN 0.000 nan 8.290 nan 0.000 0.925